@text Kinemage Supplement to Branden & Tooze "Introduction to Protein Structure", Second Edition Chapter 17 - PREDICTION, ENGINEERING, AND DESIGN OF PROTEIN STRUCTURES Contents of file c17Engin.kin: *{Kin 1}* Canonical structures for immunoglobulin loop CDR H2 (Fig. 17.2) *{Kin 2}* T4 lysozyme 1-, 2-, & 3-SS stabilizing mutants (Fig. 17.3) *{Kin 3}* T4 lysozyme helix-charge, Gly->Ala, & Ala->Pro mutants (Fig. 17.5) *{Kin 4}* Phage-selected EMP1 peptide/erythropoetin receptor (Fig. 17.11-12) *{Kinemage 1}* illustrates the effectiveness of modeling immunoglobulin loops with a small number of canonical structures, by showing the superimposed CDR H2 loops from nine high-resolution immunoglobulin structures. This set, which includes only two of Chothia's original examples, has the same four canonical structures seen earlier: 3 examples of #1 and 2 each of # 2, 3, and 4. Animate between the different sets, in both the overview and the View2 close-up. Try turning on all four groups at once. Then turn off "Calpha rest" and on "side ch", and animate again. Choose View3 to see the interactions of the framework residue Arg 71, which makes an H-bond to the H2 loop backbone in most configurations, but which must be a small residue in structure #2 to accommodate the Pro corner that sticks out at position 52b. *{Kinemage 2}* illustrates the effects of disulfide mutants on structure and stability in T4 lysozyme. Choose View2 for a close-up of the first site where an SS mutant was tried, where pre-existing Cys97 lies opposite Ile 3. Turn on "SS models" to see a Cys3 Sgamma atom in one of the normal rotamers that would be nearly close enough to the Cys97 Sgamma, with most angles fairly favorable; turn on and off the "2SS" structure to see that an SS can indeed form in very nearly the modeled conformation. Choose View3 to see a similar simple modeling for a potential SS at 9-164, which has slightly less favorable but still very promising geometry; again, turn on and off "2SS" to see that the SS works but uses a different rotamer on one side. Choose View4 to see the potential 21-142 site, where the side chains are too far apart but seemed worth trying because the domains can move; turn on and off "3SS" to see that that prediction was correct and the two domain ends move together to form the SS. View5 shows the other wildtype Cys at 54, which was removed by a Thr mutation because no long-range SS could be plausibly modeled from its position. Now return to View1, turn off "SS models" and animate, to switch between wildtype T4 lysozyme (white), the 2-SS mutant (seagreen), and the 3-SS mutant (green). The new SS bridges form successfully with relatively minor changes in structure, although the 21-142 SS across the active site cleft pulls the two domains closer together. (That mutant is inactive, incidentally, since the cleft needs to open in order for cell-wall polysaccharide substrate to enter the active site.) Click the "2Animate" button, to cycle between wildtype and the 1-SS mutant at 3-97 (greentint). This is the same SS included in the 2-SS mutant, but by itself it causes a large opening of the domains. However, it was still successful at stabilizing the protein, because such domain motions are quite low-energy changes in T4 lysozyme. In general, these results show both that carefully-chosen SS crosslinks can stabilize a protein (not all such attempts work, but many do) and also that there can be unexpected structural changes, so that it is risky to interpret the results without structural information. As is shown in Fig. 17.4, the stabilizing effect of disulfides can mostly be explained by lowering the entropy of the unfolded state, which is a function of sequence separation between the 2 Cys, and the effects of multiple SS are approximately additive. *{Kinemage 3}* shows a variety of stabilizing mutants engineered into the phage T4 lysozyme structure. The startup view is an overview of T4 lysozyme, with the potential mutation sites highlighted in pink. Animate to see the barely perceptible structural changes (determined crystallographically) for Ser38Asp and for Asn144Asp, both of which stabilize by adding a negative charge to interact with the N-terminal end of a helix dipole. Choose View2 or 3 for close-ups and animate again. These mutations were chosen to test the charge effect in isolation from effects of sidechain-backbone H-bonding, since for S38D the N-cap H-bond was already present and for N144D a sidechain-backbone H-bond is not possible in that position (N-cap + 2). Return to View1 and click the "2animate" button to cycle among wildtype, Gly77Ala, and Ala82Pro. These mutations both stabilize by lowering the entropy of the unfolded state rather than by providing any positive enthalpic contribution to the folded state. Choose View4 and animate again in close-up. The conformational changes are quite small: Glu108 side chain moves out of the way of Ala77, and only very minor backbone shifts are needed to accomodate the Pro at 82. Such entropic mutants have successfully stabilized other proteins as well (e.g., two helical Gly to Ala mutants in lambda repressor). *{Kinemage 4}* shows the crystal structure of a small, structurally efficient dimeric peptide selected by two rounds of phage display, in its specific complex with erythropoetin receptor; the peptide is called EMP1, for "erythropoetin-mimic peptide". Erythropoetin is a cytokine hormone closely related to human growth hormone, the 190-residue 4-helix bundle protein shown in Chapter 3 by itself and in Chapter 13 bound to its receptor. The peptide mimic binds to almost exactly the same surfaces and residues that the natural hormone uses, but does so with only a dimer of 20 residues, which shares no sequence or structure resemblance to erythropoetin. View2 is a close-up of the peptide dimer, showing the beta-hairpin fold and the dimerization into a 4-strand beta-sheet. Turn on "side ch" to see the disulfide that stabilizes the hairpin, and the interactions of hydrophobic aromatic side chains and additional H-bonding that makes an effective dimer even in this small structure. View3 shows a single EMP1 peptide from the side. View4 with "contacts" turned on shows the contacts between EMP1 and the receptor, including main chain interactions. Side chains in skyblue are ones known to be critical for erythropoetin binding, which are also central to the EMP1 binding surface. Pro 149 of the receptor (foreground) is a normal trans peptide, but Pro 203 (rear of contact) has a cis peptide bond, which would contribute to making the receptor surface unusual and recognizable. Copyright 1999 Jane S. and David C. Richardson. Permission freely granted for educational, research, and personal use. For program updates and more information, see http://kinemage.biochem.duke.edu. @kinemage 1 @caption (B&T Fig. 17.2) Superimposed examples of the four canonical structures for the H2 CDR loop of immunoglobulins. Animate between the sets, each in a different color. (from PDB files 1A2Y, 1KIQ, 3HFM, 1MFA, 1WEJ, 8FAB, 2FB4, 1FLR, 1KEL) @onewidth @zoom 1.10 @zslab 160 @ztran 0 @center 31.413 -7.656 -17.319 @matrix -0.438604 0.806268 -0.396935 -0.866848 -0.496078 -0.049803 -0.237066 0.322239 0.916494 @2viewid {H2} @2zoom 1.78 @2zslab 130 @2ztran 0 @2center 35.386 -14.534 -11.902 @2matrix -0.677421 0.702087 -0.219485 -0.733402 -0.621614 0.275170 0.056758 0.347377 0.936006 @3viewid {Arg (K,A) 71} @3zoom 1.68 @3zslab 130 @3ztran 0 @3center 35.714 -15.646 -14.845 @3matrix 0.152147 0.710003 -0.687565 -0.091347 -0.682585 -0.725074 -0.984127 0.173125 -0.038997 @master {Hbonds} @master {side ch} @master {SS} @master {Calpha rest} @group {Canon #1} animate @subgroup {1a2y H2 #1} dominant @vectorlist {mc} color= white { ca gly b 49 }P 30.638 -7.486 -12.480 { c gly b 49 }32.063 -8.022 -12.565 { o gly b 49 }32.952 -7.359 -13.128 { c gly b 49 }P 32.063 -8.022 -12.565 { n met b 50 }32.284 -9.225 -12.036 { ca met b 50 }33.623 -9.821 -12.039 { c met b 50 }33.604 -11.336 -11.871 { o met b 50 }32.608 -11.908 -11.401 { c met b 50 }P 33.604 -11.336 -11.871 { n ile b 51 }34.708 -11.974 -12.272 { ca ile b 51 }34.901 -13.413 -12.052 { c ile b 51 }36.289 -13.558 -11.395 { o ile b 51 }37.298 -13.016 -11.904 { c ile b 51 }P 36.289 -13.558 -11.395 { n trp b 52 }36.302 -14.145 -10.192 { ca trp b 52 }37.532 -14.366 -9.414 { c trp b 52 }38.408 -15.473 -10.036 { o trp b 52 }37.929 -16.266 -10.849 { c trp b 52 }P 38.408 -15.473 -10.036 { n gly b 53 }39.674 -15.543 -9.623 { ca gly b 53 }40.558 -16.591 -10.129 { c gly b 53 }39.981 -18.000 -9.924 { o gly b 53 }40.116 -18.892 -10.788 { c gly b 53 }P 39.981 -18.000 -9.924 { n asp b 54 }39.284 -18.189 -8.796 { ca asp b 54 }38.679 -19.480 -8.464 { c asp b 54 }37.337 -19.783 -9.137 { o asp b 54 }36.690 -20.778 -8.808 { c asp b 54 }P 37.337 -19.783 -9.137 { n gly b 55 }36.902 -18.902 -10.040 { ca gly b 55 }35.646 -19.108 -10.744 { c gly b 55 }34.368 -18.522 -10.155 { o gly b 55 }33.332 -18.570 -10.816 { c gly b 55 }P 34.368 -18.522 -10.155 { n asn b 56 }34.407 -18.022 -8.919 { ca asn b 56 }33.201 -17.423 -8.307 { c asn b 56 }32.848 -16.088 -9.015 { o asn b 56 }33.740 -15.389 -9.504 { c asn b 56 }P 32.848 -16.088 -9.015 { n thr b 57 }31.567 -15.729 -9.053 { ca thr b 57 }31.130 -14.496 -9.724 { c thr b 57 }30.342 -13.534 -8.815 { o thr b 57 }29.733 -13.969 -7.834 { c thr b 57 }P 30.342 -13.534 -8.815 { n asp b 58 }30.374 -12.238 -9.142 { ca asp b 58 }29.637 -11.190 -8.413 { c asp b 58 }29.187 -10.133 -9.443 { o asp b 58 }29.923 -9.826 -10.384 { c asp b 58 }P 29.187 -10.133 -9.443 { n tyr b 59 }27.981 -9.596 -9.280 { ca tyr b 59 }27.403 -8.643 -10.236 @vectorlist {Calphas} color= white master= {Calpha rest} { ca gln b 1 }P 53.692 -8.496 -21.010 { ca val b 2 }50.171 -8.527 -19.621 { ca gln b 3 }47.569 -7.836 -22.359 { ca leu b 4 }43.748 -7.885 -22.541 { ca gln b 5 }41.619 -7.417 -25.748 { ca glu b 6 }37.818 -7.225 -26.185 { ca ser b 7 }35.796 -8.551 -29.171 { ca gly b 8 }32.101 -7.788 -29.708 { ca pro b 9 }29.272 -7.586 -32.328 { ca gly b 10 }29.254 -3.781 -32.668 { ca leu b 11 }25.571 -3.462 -33.574 { ca val b 12 }22.851 -5.635 -32.000 { ca ala b 13 }19.054 -5.713 -32.234 { ca pro b 14 }16.947 -5.385 -29.029 { ca ser b 15 }15.534 -8.803 -29.923 { ca gln b 16 }18.917 -10.534 -29.584 { ca ser b 17 }21.504 -10.862 -26.786 { ca leu b 18 }24.940 -9.301 -26.227 { ca ser b 19 }28.066 -11.508 -26.152 { ca ile b 20 }31.605 -10.145 -25.718 { ca thr b 21 }34.918 -12.031 -25.395 { ca cys b 22 }38.061 -10.865 -23.539 { ca thr b 23 }41.228 -12.643 -24.760 { ca val b 24 }44.184 -12.350 -22.369 { ca ser b 25 }47.912 -13.106 -22.402 { ca gly b 26 }50.963 -12.820 -20.163 { ca phe b 27 }49.321 -14.296 -17.011 { ca ser b 28 }47.115 -17.220 -15.854 { ca leu b 29 }43.362 -16.688 -15.261 { ca thr b 30 }43.600 -19.015 -12.227 { ca gly b 31 }45.635 -16.444 -10.259 { ca tyr b 32 }43.813 -13.142 -10.987 { ca gly b 33 }40.233 -11.833 -11.259 { ca val b 34 }38.788 -10.064 -14.340 { ca asn b 35 }36.235 -7.190 -14.020 { ca trp b 36 }33.823 -5.778 -16.664 { ca val b 37 }33.207 -1.969 -16.833 { ca arg b 38 }31.252 0.236 -19.301 { ca gln b 39 }31.191 3.936 -20.281 { ca pro b 40 }28.390 5.628 -22.309 { ca pro b 41 }29.740 8.232 -24.757 { ca gly b 42 }30.623 11.456 -22.956 { ca lys b 43 }29.797 9.907 -19.554 { ca gly b 44 }31.462 8.209 -16.569 { ca leu b 45 }32.426 4.643 -15.592 { ca glu b 46 }29.891 1.970 -14.421 { ca trp b 47 }30.864 -1.408 -12.764 { ca leu b 48 }29.164 -4.478 -14.293 { ca gly b 49 }30.638 -7.486 -12.480 { ca tyr b 59 }P 27.403 -8.643 -10.236 { ca asn b 60 }26.046 -5.070 -10.262 { ca ser b 61 }22.838 -5.142 -8.131 { ca ala b 62 }20.438 -3.483 -10.595 { ca leu b 63 }21.737 -5.466 -13.619 { ca lys b 64 }22.234 -8.898 -12.031 { ca ser b 65 }19.061 -10.501 -13.462 { ca arg b 66 }20.260 -10.002 -17.063 { ca leu b 67 }24.043 -10.537 -16.915 { ca ser b 68 }26.154 -13.707 -16.932 { ca ile b 69 }30.000 -13.971 -16.734 { ca ser b 70 }32.017 -17.202 -17.353 { ca lys b 71 }35.484 -18.279 -18.538 { ca asp b 72 }37.736 -20.946 -20.111 { ca asn b 73 }41.079 -21.178 -18.215 { ca ser b 74 }42.792 -23.370 -20.888 { ca lys b 75 }41.992 -20.879 -23.667 { ca ser b 76 }42.725 -17.684 -21.712 { ca gln b 77 }39.232 -16.296 -22.455 { ca val b 78 }36.559 -14.518 -20.337 { ca phe b 79 }32.936 -14.074 -21.555 { ca leu b 80 }30.203 -11.485 -20.832 { ca lys b 81 }26.588 -12.182 -21.826 { ca met b 82 }23.709 -9.691 -21.445 { ca asn b 83 }20.009 -10.026 -22.342 { ca ser b 84 }16.946 -7.736 -22.568 { ca leu b 85 }18.832 -4.939 -24.385 { ca his b 86 }17.711 -1.291 -24.105 { ca thr b 87 }19.141 1.733 -25.960 { ca asp b 88 }20.615 2.689 -22.581 { ca asp b 89 }23.046 -0.211 -23.052 { ca thr b 90 }24.880 1.744 -25.804 { ca ala b 91 }28.501 2.193 -24.567 { ca arg b 92 }32.199 1.282 -24.749 { ca tyr b 93 }32.782 -2.018 -22.848 { ca tyr b 94 }36.138 -2.782 -21.096 { ca cys b 95 }37.651 -5.864 -19.406 { ca ala b 96 }40.339 -5.268 -16.726 { ca arg b 97 }42.661 -7.454 -14.617 { ca glu b 98 }42.338 -7.239 -10.826 { ca arg b 99 }45.429 -7.801 -8.677 { ca asp b 100 }44.861 -7.755 -4.871 { ca tyr b 101 }42.137 -5.068 -4.899 { ca arg b 102 }43.130 -2.727 -7.808 { ca leu b 103 }42.505 -2.867 -11.587 { ca asp b 104 }46.110 -2.827 -12.873 { ca tyr b 105 }45.804 -3.491 -16.656 { ca trp b 106 }42.881 -2.591 -18.961 { ca gly b 107 }41.885 -3.479 -22.536 { ca gln b 108 }41.296 -0.788 -25.224 { ca gly b 109 }37.528 -1.429 -25.191 { ca thr b 110 }34.881 -2.244 -27.800 { ca thr b 111 }31.914 -0.049 -28.733 { ca leu b 112 }28.373 -1.372 -28.782 { ca thr b 113 }25.200 0.289 -30.080 { ca val b 114 }21.680 -0.990 -29.489 { ca ser b 115 }19.591 -0.738 -32.676 { ca ser b 116 }15.821 -0.226 -32.755 @vectorlist {Hb} color= brown master= {Hbonds} {met 50 hn} <2.029>P U 31.520 -9.727 -11.631 {asp 58 o}U 30.402 -9.796 -10.758 {trp 52 hn} <1.958>P U 35.430 -14.447 -9.806 {asn 56 o}U 34.247 -15.106 -9.595 {gly 55 hn} <1.980>P U 37.446 -18.086 -10.238 {trp 52 o}U 37.784 -16.812 -10.666 {asp 58 hn} <2.232>P U 30.932 -11.970 -9.928 {met 50 o}U 32.105 -11.927 -10.959 @vectorlist {sc} color= cyan master= {side ch} off { ca trp b 36 }P 33.823 -5.778 -16.664 { cb trp b 36 }32.703 -6.664 -17.224 { cg trp b 36 }33.195 -7.887 -17.954 { cd1 trp b 36 }33.209 -9.166 -17.483 { ne1 trp b 36 }33.644 -10.033 -18.462 { ce2 trp b 36 }33.930 -9.318 -19.596 { ne1 trp b 36 }33.644 -10.033 -18.462 { cg trp b 36 }P 33.195 -7.887 -17.954 { cd2 trp b 36 }33.669 -7.956 -19.313 { ce2 trp b 36 }33.930 -9.318 -19.596 { cz2 trp b 36 }34.394 -9.753 -20.849 { ch2 trp b 36 }34.593 -8.798 -21.823 { cd2 trp b 36 }P 33.669 -7.956 -19.313 { ce3 trp b 36 }33.883 -6.998 -20.326 { cz3 trp b 36 }34.343 -7.432 -21.576 { ch2 trp b 36 }34.593 -8.798 -21.823 { ca met b 50 }P 33.623 -9.821 -12.039 { cb met b 50 }34.442 -9.231 -10.869 { cg met b 50 }33.937 -9.663 -9.462 { sd met b 50 }34.859 -8.975 -8.037 { ce met b 50 }36.495 -9.707 -8.297 { ca ile b 51 }P 34.901 -13.413 -12.052 { cb ile b 51 }34.764 -14.288 -13.340 { cg1 ile b 51 }34.881 -15.774 -12.966 { cd1 ile b 51 }34.267 -16.739 -13.987 { cb ile b 51 }P 34.764 -14.288 -13.340 { cg2 ile b 51 }35.782 -13.882 -14.416 { ca trp b 52 }P 37.532 -14.366 -9.414 { cb trp b 52 }37.172 -14.751 -7.961 { cg trp b 52 }36.408 -13.685 -7.178 { cd1 trp b 52 }35.047 -13.473 -7.178 { ne1 trp b 52 }34.738 -12.390 -6.372 { ce2 trp b 52 }35.896 -11.883 -5.838 { ne1 trp b 52 }34.738 -12.390 -6.372 { cg trp b 52 }P 36.408 -13.685 -7.178 { cd2 trp b 52 }36.968 -12.675 -6.321 { ce2 trp b 52 }35.896 -11.883 -5.838 { cz2 trp b 52 }36.098 -10.791 -4.978 { ch2 trp b 52 }37.387 -10.493 -4.607 { cd2 trp b 52 }P 36.968 -12.675 -6.321 { ce3 trp b 52 }38.277 -12.351 -5.922 { cz3 trp b 52 }38.470 -11.256 -5.066 { ch2 trp b 52 }37.387 -10.493 -4.607 { ca asp b 54 }P 38.679 -19.480 -8.464 { cb asp b 54 }38.558 -19.650 -6.936 { cg asp b 54 }37.681 -18.576 -6.267 { od1 asp b 54 }36.869 -17.901 -6.946 { cg asp b 54 }P 37.681 -18.576 -6.267 { od2 asp b 54 }37.807 -18.425 -5.031 { ca asn b 56 }P 33.201 -17.423 -8.307 { cb asn b 56 }33.422 -17.182 -6.806 { cg asn b 56 }33.453 -18.483 -5.994 { od1 asn b 56 }34.466 -18.824 -5.392 { cg asn b 56 }P 33.453 -18.483 -5.994 { nd2 asn b 56 }32.357 -19.207 -5.995 { ca thr b 57 }P 31.130 -14.496 -9.724 { cb thr b 57 }30.228 -14.810 -10.992 { og1 thr b 57 }29.086 -15.603 -10.604 { cb thr b 57 }P 30.228 -14.810 -10.992 { cg2 thr b 57 }31.025 -15.558 -12.063 { ca asp b 58 }P 29.637 -11.190 -8.413 { cb asp b 58 }30.493 -10.577 -7.297 { cg asp b 58 }30.686 -11.539 -6.107 { od1 asp b 58 }29.678 -11.851 -5.420 { cg asp b 58 }P 30.686 -11.539 -6.107 { od2 asp b 58 }31.833 -11.989 -5.864 { ca tyr b 59 }P 27.403 -8.643 -10.236 { cb tyr b 59 }26.239 -9.327 -10.985 { cg tyr b 59 }26.567 -10.640 -11.671 { cd1 tyr b 59 }27.101 -10.651 -12.956 { ce1 tyr b 59 }27.441 -11.843 -13.588 { cz tyr b 59 }27.239 -13.046 -12.945 { oh tyr b 59 }27.540 -14.200 -13.648 { cg tyr b 59 }P 26.567 -10.640 -11.671 { cd2 tyr b 59 }26.371 -11.867 -11.026 { ce2 tyr b 59 }26.705 -13.073 -11.653 { cz tyr b 59 }27.239 -13.046 -12.945 { ca lys b 71 }P 35.484 -18.279 -18.538 { cb lys b 71 }36.502 -17.619 -17.577 { cg lys b 71 }36.824 -18.420 -16.311 { cd lys b 71 }38.001 -17.804 -15.527 { ce lys b 71 }38.192 -18.442 -14.132 { nz lys b 71 }39.489 -18.027 -13.468 @vectorlist {SS} color= yellow master= {SS} { ca cys b 22 }P 38.061 -10.865 -23.539 { cb cys b 22 }37.912 -10.327 -22.089 { sg cys b 22 }39.386 -9.575 -21.292 { sg cys b 95 }39.035 -7.550 -21.346 { cb cys b 95 }37.776 -7.265 -20.044 { ca cys b 95 }37.651 -5.864 -19.406 @subgroup {1kiq H2 #1} dominant @vectorlist {mc} color= white { ca gly b 49 }P 30.601 -7.563 -12.375 { c gly b 49 }32.012 -8.070 -12.526 { o gly b 49 }32.819 -7.495 -13.257 { c gly b 49 }P 32.012 -8.070 -12.526 { n met b 50 }32.303 -9.199 -11.903 { ca met b 50 }33.622 -9.786 -12.010 { c met b 50 }33.565 -11.331 -11.869 { o met b 50 }32.515 -11.927 -11.535 { c met b 50 }P 33.565 -11.331 -11.869 { n ile b 51 }34.699 -11.947 -12.201 { ca 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cg tyr h 58 }36.870 -20.810 -11.291 { cd1 tyr h 58 }36.940 -22.069 -10.712 { ce1 tyr h 58 }37.999 -22.924 -10.999 { cz tyr h 58 }38.994 -22.506 -11.863 { oh tyr h 58 }40.086 -23.270 -12.187 { cg tyr h 58 }P 36.870 -20.810 -11.291 { cd2 tyr h 58 }37.907 -20.390 -12.132 { ce2 tyr h 58 }38.964 -21.228 -12.413 { cz tyr h 58 }38.994 -22.506 -11.863 { ca glu h 59 }P 33.259 -17.146 -7.882 { cb glu h 59 }33.121 -16.502 -6.561 { cg glu h 59 }32.947 -17.267 -5.257 { cd glu h 59 }33.290 -16.499 -4.009 { oe1 glu h 59 }34.486 -16.117 -3.993 { cd glu h 59 }P 33.290 -16.499 -4.009 { oe2 glu h 59 }32.500 -16.264 -3.116 { ca thr h 60 }P 31.254 -14.670 -9.973 { cb thr h 60 }30.377 -15.680 -10.903 { og1 thr h 60 }30.787 -15.485 -12.264 { cb thr h 60 }P 30.377 -15.680 -10.903 { cg2 thr h 60 }28.908 -15.619 -10.546 { ca tyr h 61 }P 29.734 -11.399 -8.722 { cb tyr h 61 }30.493 -10.510 -7.738 { cg tyr h 61 }30.952 -11.260 -6.505 { cd1 tyr h 61 }31.954 -12.226 -6.590 { ce1 tyr h 61 }32.335 -12.963 -5.461 { cz tyr h 61 }31.718 -12.680 -4.239 { oh tyr h 61 }32.072 -13.357 -3.103 { cg tyr h 61 }P 30.952 -11.260 -6.505 { cd2 tyr h 61 }30.353 -10.987 -5.266 { ce2 tyr h 61 }30.741 -11.698 -4.123 { cz tyr h 61 }31.718 -12.680 -4.239 { ca tyr h 62 }P 27.345 -9.078 -10.586 { cb tyr h 62 }26.303 -9.891 -11.404 { cg tyr h 62 }26.832 -10.991 -12.328 { cd1 tyr h 62 }27.373 -10.718 -13.580 { ce1 tyr h 62 }27.829 -11.723 -14.430 { cz tyr h 62 }27.743 -13.034 -14.029 { oh tyr h 62 }28.254 -14.019 -14.824 { cg tyr h 62 }P 26.832 -10.991 -12.328 { cd2 tyr h 62 }26.756 -12.330 -11.941 { ce2 tyr h 62 }27.205 -13.353 -12.770 { cz tyr h 62 }27.743 -13.034 -14.029 { ca arg h 74 }P 36.925 -16.932 -18.615 { cb arg h 74 }37.760 -16.522 -17.390 { cg arg h 74 }37.212 -17.056 -16.067 { cd arg h 74 }37.912 -16.540 -14.880 { ne arg h 74 }39.319 -16.242 -15.150 { cz arg h 74 }40.003 -15.494 -14.270 { nh1 arg h 74 }39.438 -15.133 -13.122 { cz arg h 74 }P 40.003 -15.494 -14.270 { nh2 arg h 74 }41.246 -15.122 -14.519 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c arg h 52 }P 38.618 -15.113 -9.910 { n asn h 53 }39.776 -15.195 -9.266 { ca asn h 53 }40.884 -15.995 -9.777 { c asn h 53 }40.772 -17.496 -9.473 { o asn h 53 }39.746 -17.978 -8.963 { c asn h 53 }P 40.772 -17.496 -9.473 { n lys h 54 }41.831 -18.225 -9.784 { ca lys h 54 }41.870 -19.661 -9.561 { c lys h 54 }41.768 -19.982 -8.068 { o lys h 54 }41.011 -20.856 -7.658 { c lys h 54 }P 41.768 -19.982 -8.068 { n ala h 55 }42.514 -19.234 -7.265 { ca ala h 55 }42.531 -19.436 -5.823 { c ala h 55 }41.147 -19.288 -5.213 { o ala h 55 }40.845 -19.919 -4.214 { c ala h 55 }P 41.147 -19.288 -5.213 { n lys h 56 }40.317 -18.448 -5.825 { ca lys h 56 }38.965 -18.215 -5.334 { c lys h 56 }37.930 -19.040 -6.073 { o lys h 56 }36.727 -18.845 -5.921 { c lys h 56 }P 37.930 -19.040 -6.073 { n gly h 57 }38.406 -19.954 -6.899 { ca gly h 57 }37.509 -20.832 -7.620 { c gly h 57 }36.749 -20.225 -8.767 { o gly h 57 }35.729 -20.757 -9.189 { c gly h 57 }P 36.749 -20.225 -8.767 { n tyr h 58 }37.214 -19.089 -9.254 { ca tyr h 58 }36.578 -18.426 -10.378 { c tyr h 58 }35.109 -18.095 -10.167 { o tyr h 58 }34.362 -18.026 -11.136 { c tyr h 58 }P 35.109 -18.095 -10.167 { n thr h 59 }34.675 -17.897 -8.931 { ca thr h 59 }33.277 -17.541 -8.662 { c thr h 59 }32.911 -16.120 -9.212 { o thr h 59 }33.795 -15.298 -9.516 { c thr h 59 }P 32.911 -16.120 -9.212 { n thr h 60 }31.624 -15.787 -9.263 { ca thr h 60 }31.204 -14.489 -9.823 { c thr h 60 }30.305 -13.601 -8.962 { o thr h 60 }29.572 -14.084 -8.108 { c thr h 60 }P 30.305 -13.601 -8.962 { n glu h 61 }30.345 -12.303 -9.250 { ca glu h 61 }29.513 -11.321 -8.579 { c glu h 61 }29.031 -10.426 -9.714 { o glu h 61 }29.788 -10.184 -10.654 { c glu h 61 }P 29.031 -10.426 -9.714 { n tyr h 62 }27.783 -9.950 -9.604 { ca tyr h 62 }27.117 -9.102 -10.602 @vectorlist {Calphas} color= bluetint master= {Calpha rest} { ca glu h 1 }P 53.146 -6.048 -22.153 { ca val h 2 }49.960 -6.830 -20.230 { ca lys h 3 }47.123 -6.855 -22.816 { ca leu h 4 }43.282 -7.053 -22.722 { ca val h 5 }41.318 -6.802 -25.957 { ca glu h 6 }37.537 -6.584 -26.105 { ca ser h 7 }35.672 -7.599 -29.248 { ca gly h 8 }32.246 -8.717 -30.407 { ca gly h 9 }30.546 -5.341 -30.369 { ca gly h 10 }28.075 -4.227 -32.974 { ca leu h 11 }24.378 -3.758 -33.416 { ca gly h 12 }22.299 -6.047 -31.250 { ca gln h 13 }18.611 -6.896 -31.675 { ca pro h 14 }16.249 -6.061 -28.774 { ca gly h 15 }15.381 -9.339 -27.075 { ca gly h 16 }18.442 -10.955 -28.633 { ca ser h 17 }21.845 -12.068 -27.305 { ca leu h 18 }25.441 -11.017 -27.646 { ca arg h 19 }28.671 -12.429 -26.320 { ca leu h 20 }31.597 -10.069 -25.823 { ca ser h 21 }35.117 -11.472 -25.471 { ca cys h 22 }38.215 -10.046 -23.762 { ca ala h 23 }41.370 -11.683 -25.028 { ca thr h 24 }44.408 -11.402 -22.792 { ca ser h 25 }48.164 -11.920 -23.085 { ca gly h 26 }51.314 -10.777 -21.305 { ca phe h 27 }50.591 -12.136 -17.833 { ca thr h 28 }49.253 -15.150 -15.939 { ca phe h 29 }45.504 -15.066 -16.602 { ca thr h 30 }44.467 -17.378 -13.741 { ca asp h 31 }46.153 -15.214 -11.135 { ca tyr h 32 }43.605 -12.450 -11.813 { ca tyr h 33 }40.046 -11.455 -11.083 { ca phe h 34 }38.416 -9.817 -14.126 { ca asn h 35 }35.827 -7.014 -14.277 { ca trp h 36 }33.339 -5.870 -16.904 { ca ala h 37 }32.134 -2.271 -16.896 { ca arg h 38 }30.112 -0.214 -19.372 { ca gln h 39 }29.681 3.405 -20.285 { ca pro h 40 }26.502 4.450 -22.149 { ca pro h 41 }27.141 7.430 -24.414 { ca gly h 42 }26.391 10.543 -22.374 { ca lys h 43 }26.264 8.537 -19.114 { ca ala h 44 }28.440 7.391 -16.184 { ca leu h 45 }30.783 4.415 -16.071 { ca glu h 46 }28.967 1.413 -14.576 { ca trp h 47 }30.309 -1.767 -12.906 { ca leu h 48 }28.724 -5.003 -14.153 { ca tyr h 62 }P 27.117 -9.102 -10.602 { ca ser h 63 }25.484 -5.694 -10.327 { ca ala h 64 }21.759 -5.655 -9.439 { ca ser h 65 }21.259 -4.061 -12.850 { ca val h 66 }22.274 -7.198 -14.723 { ca lys h 67 }22.347 -10.118 -12.282 { ca gly h 68 }20.471 -13.059 -13.778 { ca arg h 69 }20.590 -11.568 -17.278 { ca phe h 70 }24.344 -11.374 -18.040 { ca thr h 71 }26.911 -14.101 -17.513 { ca ile h 72 }30.623 -13.715 -16.970 { ca ser h 73 }32.880 -16.644 -17.806 { ca arg h 74 }36.548 -17.354 -18.580 { ca asp h 75 }38.457 -19.877 -20.659 { ca asn h 76 }41.560 -20.536 -18.608 { ca ser h 77 }43.309 -22.433 -21.360 { ca gln h 78 }42.869 -19.603 -23.818 { ca gly h 79 }43.134 -16.677 -21.407 { ca ile h 80 }39.882 -15.239 -22.718 { ca leu h 81 }37.115 -13.607 -20.642 { ca tyr h 82 }33.471 -13.467 -21.819 { ca leu h 83 }30.358 -11.422 -21.119 { ca gln h 84 }27.203 -13.197 -22.231 { ca met h 85 }24.424 -10.596 -22.538 { ca asn h 86 }20.952 -12.126 -22.839 { ca thr h 87 }17.619 -10.505 -23.808 { ca leu h 88 }19.250 -7.258 -24.979 { ca arg h 89 }17.609 -3.965 -24.018 { ca ala h 90 }18.185 -0.449 -25.302 { ca glu h 91 }19.854 0.357 -21.938 { ca asp h 92 }22.582 -2.056 -22.953 { ca ser h 93 }23.777 0.327 -25.682 { ca ala h 94 }27.225 1.243 -24.365 { ca thr h 95 }30.973 0.810 -24.667 { ca tyr h 96 }32.010 -2.251 -22.700 { ca tyr h 97 }35.368 -2.576 -20.945 { ca cys h 98 }37.168 -5.507 -19.351 { ca ala h 99 }39.875 -5.052 -16.693 { ca arg h 100 }41.949 -7.419 -14.532 { ca trp h 101 }42.079 -6.859 -10.793 { ca gly h 102 }44.771 -7.897 -8.323 { ca ser h 103 }47.166 -6.396 -5.770 { ca tyr h 104 }47.390 -3.361 -8.048 { ca ala h 105 }43.561 -3.202 -8.504 { ca met h 106 }42.313 -2.557 -12.100 { ca asp h 107 }45.745 -1.605 -13.374 { ca tyr h 108 }45.133 -2.727 -16.962 { ca trp h 109 }41.995 -2.058 -19.020 { ca gly h 110 }41.005 -2.983 -22.538 { ca gln h 111 }40.179 -0.346 -25.144 { ca gly h 112 }36.481 -1.267 -25.014 { ca thr h 113 }33.952 -2.571 -27.545 { ca ser h 114 }30.771 -0.702 -28.528 @vectorlist {Hb} color= brown master= {Hbonds} {phe 50 hn} <2.083>P U 31.753 -9.582 -10.993 {glu 61 o}U 30.378 -10.003 -10.756 {arg 52 hn} <1.912>P U 35.586 -14.734 -9.877 {thr 59 o}U 34.332 -15.129 -9.624 {lys 56 hn} <2.507>P U 40.610 -17.970 -6.610 {asn 53 o}U 40.005 -17.976 -8.257 {gly 57 hn} <1.945>P U 39.367 -20.053 -6.998 {lys 54 o}U 40.518 -20.615 -7.460 {tyr 58 hn} <1.895>P U 37.993 -18.688 -8.845 {asn 53 o}U 39.220 -18.191 -8.928 {thr 59 hn} <2.818>P U 35.300 -17.951 -8.181 {lys 56 o}U 36.299 -18.577 -6.599 {glu 61 hn} <2.156>P U 30.981 -11.975 -9.934 {phe 50 o}U 32.167 -11.876 -10.862 @vectorlist {sc} color= sky master= {side ch} off { ca trp h 36 }P 33.339 -5.870 -16.904 { cb trp h 36 }32.324 -6.840 -17.512 { cg trp h 36 }32.916 -7.942 -18.316 { cd1 trp h 36 }33.110 -9.232 -17.914 { ne1 trp h 36 }33.642 -9.974 -18.942 { ce2 trp h 36 }33.805 -9.166 -20.041 { ne1 trp h 36 }33.642 -9.974 -18.942 { cg trp h 36 }P 32.916 -7.942 -18.316 { cd2 trp h 36 }33.368 -7.889 -19.690 { ce2 trp h 36 }33.805 -9.166 -20.041 { cz2 trp h 36 }34.298 -9.475 -21.318 { ch2 trp h 36 }34.341 -8.461 -22.234 { cd2 trp h 36 }P 33.368 -7.889 -19.690 { ce3 trp h 36 }33.425 -6.852 -20.646 { cz3 trp h 36 }33.914 -7.158 -21.919 { ch2 trp h 36 }34.341 -8.461 -22.234 { ca phe h 50 }P 33.707 -9.723 -11.791 { cb phe h 50 }34.762 -9.050 -10.869 { cg phe h 50 }34.484 -9.140 -9.361 { cd1 phe h 50 }34.295 -10.375 -8.713 { ce1 phe h 50 }34.131 -10.447 -7.317 { cz phe h 50 }34.153 -9.278 -6.548 { cg phe h 50 }P 34.484 -9.140 -9.361 { cd2 phe h 50 }34.499 -7.979 -8.577 { ce2 phe h 50 }34.336 -8.041 -7.177 { cz phe h 50 }34.153 -9.278 -6.548 { ca ile h 51 }P 34.953 -13.296 -11.856 { cb ile h 51 }35.021 -13.999 -13.228 { cg1 ile h 51 }34.958 -15.512 -13.045 { cd1 ile h 51 }34.407 -16.241 -14.284 { cb ile h 51 }P 35.021 -13.999 -13.228 { cg2 ile h 51 }36.211 -13.493 -14.064 { ca arg h 52 }P 37.556 -14.241 -9.288 { cb arg h 52 }37.222 -14.735 -7.881 { cg arg h 52 }36.131 -13.937 -7.197 { cd arg h 52 }35.889 -14.417 -5.784 { ne arg h 52 }35.120 -13.444 -5.013 { cz arg h 52 }33.793 -13.336 -4.999 { nh1 arg h 52 }33.006 -14.141 -5.713 { cz arg h 52 }P 33.793 -13.336 -4.999 { nh2 arg h 52 }33.250 -12.384 -4.258 { ca asn h 53 }P 40.884 -15.995 -9.777 { cb asn h 53 }42.224 -15.426 -9.285 { cg asn h 53 }42.342 -15.354 -7.738 { od1 asn h 53 }43.243 -14.700 -7.234 { cg asn h 53 }P 42.342 -15.354 -7.738 { nd2 asn h 53 }41.432 -15.992 -7.006 { ca lys h 54 }P 41.870 -19.661 -9.561 { cb lys h 54 }43.171 -20.222 -10.143 { cg lys h 54 }43.231 -21.751 -10.250 { cd lys h 54 }44.583 -22.158 -10.823 { ce lys h 54 }44.614 -23.586 -11.312 { nz lys h 54 }45.852 -23.833 -12.110 { ca ala h 55 }P 42.531 -19.436 -5.823 { cb ala h 55 }43.505 -18.470 -5.174 { ca lys h 56 }P 38.965 -18.215 -5.334 { cb lys h 56 }38.618 -16.726 -5.364 { cg lys h 56 }39.493 -15.859 -4.453 { cd lys h 56 }39.310 -16.177 -2.987 { ce lys h 56 }37.879 -15.924 -2.501 { nz lys h 56 }37.514 -14.469 -2.456 { ca tyr h 58 }P 36.578 -18.426 -10.378 { cb tyr h 58 }36.699 -19.281 -11.649 { cg tyr h 58 }38.096 -19.749 -12.005 { cd1 tyr h 58 }39.079 -18.847 -12.363 { ce1 tyr h 58 }40.364 -19.265 -12.712 { cz tyr h 58 }40.678 -20.610 -12.711 { oh tyr h 58 }41.954 -20.994 -13.092 { cg tyr h 58 }P 38.096 -19.749 -12.005 { cd2 tyr h 58 }38.419 -21.107 -12.000 { ce2 tyr h 58 }39.716 -21.543 -12.357 { cz tyr h 58 }40.678 -20.610 -12.711 { ca thr h 59 }P 33.277 -17.541 -8.662 { cb thr h 59 }33.009 -17.630 -7.153 { og1 thr h 59 }34.112 -17.053 -6.447 { cb thr h 59 }P 33.009 -17.630 -7.153 { cg2 thr h 59 }32.931 -19.046 -6.752 { ca thr h 60 }P 31.204 -14.489 -9.823 { cb thr h 60 }30.434 -14.681 -11.157 { og1 thr h 60 }29.220 -15.412 -10.894 { cb thr h 60 }P 30.434 -14.681 -11.157 { cg2 thr h 60 }31.295 -15.405 -12.214 { ca glu h 61 }P 29.513 -11.321 -8.579 { cb glu h 61 }30.304 -10.487 -7.562 { cg glu h 61 }30.894 -11.250 -6.412 { cd glu h 61 }29.866 -11.963 -5.522 { oe1 glu h 61 }28.646 -11.688 -5.533 { cd glu h 61 }P 29.866 -11.963 -5.522 { oe2 glu h 61 }30.298 -12.817 -4.753 { ca tyr h 62 }P 27.117 -9.102 -10.602 { cb tyr h 62 }26.022 -9.906 -11.359 { cg tyr h 62 }26.557 -11.098 -12.122 { cd1 tyr h 62 }27.040 -10.947 -13.435 { ce1 tyr h 62 }27.586 -12.016 -14.117 { cz tyr h 62 }27.656 -13.259 -13.498 { oh tyr h 62 }28.172 -14.294 -14.201 { cg tyr h 62 }P 26.557 -11.098 -12.122 { cd2 tyr h 62 }26.637 -12.369 -11.517 { ce2 tyr h 62 }27.187 -13.449 -12.198 { cz tyr h 62 }27.656 -13.259 -13.498 { ca arg h 74 }P 36.548 -17.354 -18.580 { cb arg h 74 }37.427 -16.828 -17.426 { cg arg h 74 }37.505 -17.764 -16.196 { cd arg h 74 }38.099 -17.073 -14.951 { ne arg h 74 }39.520 -16.773 -15.093 { cz arg h 74 }40.186 -15.872 -14.375 { nh1 arg h 74 }39.570 -15.155 -13.436 { cz arg h 74 }P 40.186 -15.872 -14.375 { nh2 arg h 74 }41.471 -15.685 -14.601 @vectorlist {SS} color= yellow master= {SS} {ca cys h 22 }P 38.215 -10.046 -23.762 {cb cys h 22 }37.950 -9.494 -22.343 { sg cys h 22 }39.373 -8.663 -21.575 { sg cys h 98 }38.720 -6.768 -21.484 {cb cys h 98 }37.472 -6.804 -20.136 {ca cys h 98 }37.168 -5.507 -19.351 @kinemage 2 @caption (B&T Fig. 17.3 T4 lysozyme SS mutants, with wildtype side chains in cyan. Animate between wildtype, 2SS, and 3SS forms; click "2Animate" to go between wildtype and 1SS. (from PDB files 3LZM, 172L, 167L, 152L) @onewidth @zoom 1.1 @zslab 200 @center 34.527 -6.854 13.128 @matrix -0.036644 -.563365 -.825395 .99926 -.01103 -.036834 .011648 -.826134 .563354 @2viewid {SS 3-97} @2zoom 3.00 @2zslab 200 @2center 31.031 -17.183 10.091 @2matrix 0.187035 -.608345 -.771319 .870584 .466385 -.156737 .455083 -.642183 .616847 @3viewid {SS 9-164} @3zoom 3.0 @3zslab 200 @3center 43.620 -19.513 8.769 @3matrix -0.832198 .188012 .521629 -.452657 -.773682 -.443302 .32023 -.605035 .728962 @4viewid {SS 21-142} @4zoom 3.00 @4zslab 150 @4center 45.951 0.245 3.363 @4matrix -0.728746 -.426005 -.536143 .657315 -.215637 -.722106 .19201 -.878647 .437164 @5viewid {Cys 54} @5zoom 2.08 @5zslab 200 @5center 47.412 -3.024 29.371 @5matrix -0.808011 -.508954 -.296788 .578178 -.588146 -.565503 .113263 -.62853 .769495 @group {T4 wildtype} dominant animate @vectorlist {Calphas} color= white {ca met 1}P 36.900 -23.524 8.993 {ca asn 2}34.757 -20.992 10.896 {c asn 2}35.156 -19.530 10.928 {o asn 2}36.306 -19.234 10.618 {c asn 2}P 35.156 -19.530 10.928 {n ile 3}34.226 -18.649 11.300 {ca ile 3}34.437 -17.218 11.334 {c ile 3}35.664 -16.833 12.145 {o ile 3}36.413 -15.904 11.778 {c ile 3}P 35.664 -16.833 12.145 {n phe 4}35.866 -17.502 13.284 {ca phe 4}37.022 -17.162 14.104 {ca glu 5}39.711 -19.023 12.179 {ca met 6}38.919 -16.971 9.102 {ca leu 7}39.362 -13.644 10.910 {ca arg 8}42.443 -14.885 12.735 {c arg 8}43.499 -14.877 11.623 {o arg 8}44.554 -14.270 11.737 {c arg 8}P 43.499 -14.877 11.623 {n ile 9}43.163 -15.460 10.496 {ca ile 9}44.038 -15.487 9.360 {c ile 9}44.157 -14.088 8.786 {o ile 9}45.245 -13.578 8.562 {c ile 9}P 44.157 -14.088 8.786 {n asp 10}43.050 -13.404 8.595 {ca asp 10}43.093 -12.059 8.011 {ca glu 11}43.921 -9.937 11.067 {ca gly 12}46.836 -11.766 12.720 {ca leu 13}47.489 -11.655 16.490 {ca arg 14}49.679 -8.925 18.103 {ca leu 15}50.051 -8.550 21.875 {ca lys 16}51.526 -5.013 21.866 {ca ile 17}49.796 -1.816 20.523 {ca tyr 18}50.377 -1.512 16.785 {ca lys 19}49.272 0.563 13.823 {ca asp 20}46.810 -1.014 11.420 {c asp 20}47.213 -0.525 10.022 {o asp 20}48.024 0.384 9.867 {c asp 20}P 47.213 -0.525 10.022 {n thr 21}46.599 -1.072 8.997 {ca thr 21}46.966 -0.705 7.631 {c thr 21}46.685 0.726 7.406 {o thr 21}47.347 1.332 6.582 {c thr 21}P 46.685 0.726 7.406 {n glu 22}45.679 1.259 8.113 {ca glu 22}45.296 2.693 7.950 {ca gly 23}47.775 3.877 10.551 {ca tyr 24}45.366 3.476 13.474 {ca tyr 25}46.196 2.208 16.951 {ca thr 26}45.101 -1.458 17.332 {ca ile 27}45.844 -4.478 19.419 {ca gly 28}45.085 -8.236 19.484 {ca ile 29}43.116 -9.700 16.623 {ca gly 30}42.277 -6.453 14.784 {ca his 31}40.675 -4.637 17.728 {ca leu 32}40.761 -0.933 16.797 {ca leu 33}41.535 1.222 19.786 {ca thr 34}41.208 4.795 18.464 {ca lys 35}41.465 6.773 15.291 {ca ser 36}43.356 9.365 17.323 {ca pro 37}47.003 10.052 16.704 {ca ser 38}47.986 9.917 20.320 {ca leu 39}49.601 6.754 21.622 {ca asn 40}48.462 8.082 24.891 {ca ala 41}44.850 8.203 23.855 {ca ala 42}45.395 4.580 22.721 {ca lys 43}46.906 3.387 25.938 {ca ser 44}43.972 4.898 27.762 {ca glu 45}41.379 3.192 25.579 {ca leu 46}43.216 -0.072 26.042 {ca asp 47}43.151 0.068 29.837 {ca lys 48}39.465 0.989 29.706 {ca ala 49}38.762 -1.966 27.425 {ca ile 50}40.693 -4.536 29.512 {ca gly 51}39.976 -3.222 32.968 {ca arg 52}43.588 -3.022 34.052 {ca asn 53}46.713 -0.960 33.601 {ca cys 54}48.221 -2.670 30.657 {ca asn 55}50.968 -0.344 29.706 {ca gly 56}50.278 -1.118 25.984 {ca val 57}50.571 -4.830 26.339 {ca ile 58}47.995 -7.639 26.758 {ca thr 59}47.962 -11.446 27.124 {ca lys 60}46.694 -14.039 24.653 {ca asp 61}43.630 -14.611 26.806 {ca glu 62}42.798 -10.844 26.844 {ca ala 63}43.250 -10.770 23.044 {ca glu 64}40.854 -13.613 22.598 {ca lys 65}38.300 -12.109 24.910 {ca leu 66}38.256 -8.850 22.921 {ca phe 67}37.984 -11.002 19.794 {ca asn 68}34.920 -12.880 21.080 {ca gln 69}33.260 -9.535 21.902 {ca asp 70}34.040 -8.075 18.536 {ca val 71}32.673 -11.039 16.530 {ca asp 72}29.482 -11.064 18.638 {ca ala 73}29.041 -7.327 18.192 {ca ala 74}29.605 -7.662 14.378 {ca val 75}26.881 -10.376 14.171 {ca arg 76}24.386 -8.421 16.385 {ca gly 77}25.051 -5.341 14.336 {ca ile 78}24.190 -7.056 11.064 {ca leu 79}20.982 -8.461 12.648 {ca arg 80}19.944 -5.002 13.784 {ca asn 81}20.727 -3.305 10.564 {ca ala 82}17.818 -2.859 8.116 {ca lys 83}20.037 -2.989 5.137 {ca leu 84}22.228 -5.869 6.214 {ca lys 85}19.793 -8.274 7.855 {ca pro 86}17.896 -9.176 4.710 {ca val 87}21.160 -9.970 2.909 {ca tyr 88}22.448 -12.068 5.800 {ca asp 89}19.206 -14.007 6.030 {ca ser 90}19.319 -14.789 2.352 {ca leu 91}22.812 -16.267 2.418 {ca asp 92}24.229 -19.760 2.945 {ca ala 93}26.549 -20.464 5.973 {ca val 94}29.892 -19.850 4.232 {ca arg 95}28.779 -16.616 2.562 {ca arg 96}27.413 -15.381 5.884 {c arg 96}28.735 -14.945 6.553 {o arg 96}28.915 -13.759 6.982 {c arg 96}P 28.735 -14.945 6.553 {n cys 97}29.681 -15.889 6.614 {ca cys 97}30.997 -15.587 7.183 {c cys 97}31.726 -14.453 6.440 {o cys 97}32.397 -13.623 7.063 {c cys 97}P 31.726 -14.453 6.440 {n ala 98}31.580 -14.423 5.098 {ca ala 98}32.218 -13.374 4.313 {ca leu 99}29.722 -10.630 5.241 {ca ile 100}30.665 -10.852 8.888 {ca asn 101}34.386 -10.430 7.882 {ca met 102}33.538 -7.211 5.935 {ca val 103}31.545 -5.793 8.895 {ca phe 104}34.339 -6.593 11.314 {ca gln 105}36.891 -4.773 9.142 {ca met 106}34.921 -1.812 8.007 {ca gly 107}31.921 -1.352 10.299 {ca glu 108}28.170 -1.714 9.689 {ca thr 109}27.902 1.669 8.136 {ca gly 110}30.724 1.090 5.739 {ca val 111}29.349 -2.210 4.431 {ca ala 112}25.769 -0.850 4.322 {ca gly 113}27.189 1.671 1.840 {ca phe 114}27.871 -1.107 -0.752 {ca thr 115}24.312 -0.809 -2.042 {ca asn 116}24.705 -2.373 -5.452 {ca ser 117}26.859 -5.314 -4.310 {ca leu 118}24.388 -6.078 -1.488 {ca arg 119}21.540 -6.185 -4.036 {ca met 120}23.481 -8.576 -6.265 {ca leu 121}24.393 -10.882 -3.391 {ca gln 122}20.742 -10.967 -2.343 {ca gln 123}19.858 -11.961 -5.853 {ca lys 124}22.544 -14.626 -5.808 {ca arg 125}24.383 -13.180 -8.839 {ca trp 126}27.799 -14.362 -7.627 {ca asp 127}30.031 -13.374 -10.466 {ca glu 128}28.456 -10.008 -10.817 {ca ala 129}28.730 -9.212 -7.182 {ca ala 130}32.460 -10.199 -7.135 {ca val 131}33.248 -7.834 -9.968 {ca asn 132}31.278 -4.964 -8.284 {ca leu 133}32.887 -5.486 -4.866 {ca ala 134}36.383 -5.104 -6.463 {ca lys 135}35.526 -1.545 -7.562 {ca ser 136}36.096 -0.048 -4.158 {ca arg 137}38.736 1.699 -2.096 {ca trp 138}38.607 -1.453 0.169 {ca tyr 139}39.873 -3.673 -2.684 {ca asn 140}42.575 -1.195 -3.781 {ca gln 141}43.850 -0.664 -0.247 {c gln 141}44.363 -1.976 0.370 {o gln 141}45.501 -2.043 0.884 {c gln 141}P 44.363 -1.976 0.370 {n thr 142}43.521 -3.037 0.419 {ca thr 142}43.933 -4.330 1.010 {c thr 142}43.522 -5.403 0.057 {o thr 142}42.627 -6.177 0.354 {c thr 142}P 43.522 -5.403 0.057 {n pro 143}44.140 -5.432 -1.130 {ca pro 143}43.754 -6.382 -2.183 {ca asn 144}44.950 -9.791 -0.830 {ca arg 145}42.428 -9.810 2.003 {ca ala 146}39.645 -8.362 -0.235 {ca lys 147}40.332 -11.084 -2.846 {ca arg 148}40.017 -13.801 -0.224 {ca val 149}36.625 -12.399 0.926 {ca ile 150}35.509 -11.879 -2.642 {ca thr 151}36.348 -15.478 -3.625 {ca thr 152}34.362 -16.650 -0.640 {ca phe 153}31.273 -14.795 -1.852 {ca arg 154}31.897 -15.913 -5.338 {ca thr 155}32.285 -19.655 -4.644 {ca gly 156}30.591 -20.276 -1.406 {ca thr 157}33.570 -22.455 -0.329 {ca trp 158}36.614 -21.931 1.898 {ca asp 159}39.131 -22.426 -0.836 {ca ala 160}40.764 -18.969 -0.472 {ca tyr 161}41.745 -19.826 3.036 {ca lys 162}42.739 -23.519 2.699 {ca asn 163}45.908 -22.467 1.444 {c asn 163}46.844 -22.069 2.602 {o asn 163}47.915 -22.603 2.842 {c asn 163}P 46.844 -22.069 2.602 {n leu 164}46.292 -21.060 3.282 {ca leu 164}46.721 -20.175 4.378 {c leu 164}46.954 -20.643 5.801 {o leu 164}47.807 -20.052 6.530 {c leu 164}P 46.954 -20.643 5.801 {oxt leu 164}46.195 -21.492 6.256 @balllist {S} color= yellow radius= .2 master= {mut sc} {sg cys 54}45.829 -3.792 29.827 {sg cys 97}31.386 -17.993 8.406 @vectorlist {mut sc} color= cyan master= {mut sc} {ca ile 3}P 34.437 -17.218 11.334 {cb ile 3}33.162 -16.447 11.738 {cg1 ile 3}33.339 -14.925 11.539 {cd1 ile 3}33.713 -14.481 10.097 {cb ile 3}P 33.162 -16.447 11.738 {cg2 ile 3}32.754 -16.772 13.189 {ca ile 9}P 44.038 -15.487 9.360 {cb ile 9}43.584 -16.516 8.321 {cg1 ile 9}44.005 -17.938 8.739 {cd1 ile 9}43.205 -18.992 8.023 {cb ile 9}P 43.584 -16.516 8.321 {cg2 ile 9}44.140 -16.185 6.921 {ca thr 21}P 46.966 -0.705 7.631 {cb thr 21}46.217 -1.510 6.544 {og1 thr 21}44.874 -1.147 6.666 {cb thr 21}P 46.217 -1.510 6.544 {cg2 thr 21}46.327 -3.036 6.734 {ca cys 54}P 48.221 -2.670 30.657 {cb cys 54}47.412 -3.024 29.371 {sg cys 54}45.829 -3.792 29.827 {ca cys 97}P 30.997 -15.587 7.183 {cb cys 97}31.904 -16.821 7.145 {sg cys 97}31.386 -17.993 8.406 {ca thr 142}P 43.933 -4.330 1.010 {cb thr 142}43.296 -4.587 2.421 {og1 thr 142}41.887 -4.358 2.385 {cb thr 142}P 43.296 -4.587 2.421 {cg2 thr 142}43.817 -3.575 3.427 {ca leu 164}P 46.721 -20.175 4.378 {cb leu 164}45.729 -18.992 4.404 {cg leu 164}46.058 -17.961 3.361 {cd1 leu 164}46.900 -18.556 2.247 {cg leu 164}P 46.058 -17.961 3.361 {cd2 leu 164}44.784 -17.380 2.842 @balllist {S} off color= brown radius= .15 master= {SS models} {sg cys 3 model} 31.896, -16.667, 10.480 {sg cys 164 model} 46.179, -17.853, 5.720 {sg cys 9 model} 44.715, -16.506, 6.923 {sg cys 21 model} 44.461, -1.131, 6.611 {sg cys 142 model} 43.795, -3.286, 3.557 @vectorlist {ss model} off color= gray master= {SS models} {cb ile 3}P 33.162, -16.447, 11.738 {sg cys 3 model} 31.896, -16.667, 10.480 {sg 3 model} P U 31.734, -17.089, 9.820 {sg cys 97} U 31.548, -17.571, 9.066 {cb leu 164}P 45.729, -18.992, 4.404 {sg cys 164 model} 46.179, -17.853, 5.720 {cb ile 9}P 43.584, -16.516, 8.321 {sg cys 9 model} 44.715, -16.506, 6.923 {sg 9 model} P U 45.219, -16.969, 6.509 {sg 164 model} U 45.675, -17.389, 6.134 {cb thr 21}P 46.217, -1.510, 6.544 {sg cys 21 model} 44.461, -1.131, 6.611 {cb thr 142}P 43.296, -4.587, 2.421 {sg cys 142 model} 43.795, -3.286, 3.557 {sg cys 21 model} P U 44.285, -1.699, 5.807 {sg cys 142 model} U 43.970, -2.718, 4.362 @group {T4 2 SS} dominant animate 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-10.083 16.809 {ca gly a 30}42.648 -6.873 15.058 {ca his a 31}40.764 -5.111 17.650 {ca leu a 32}40.831 -1.377 16.848 {ca leu a 33}41.779 0.988 19.709 {ca thr a 34}41.737 4.587 18.477 {ca lys a 35}41.941 6.514 15.148 {ca ser a 36}43.605 9.275 17.109 {ca pro a 37}47.295 9.710 16.505 {ca ser a 38}47.933 9.343 20.143 {ca leu a 39}49.397 6.260 21.618 {ca asn a 40}48.297 7.359 25.121 {ca ala a 41}44.888 7.537 23.689 {ca ala a 42}45.376 3.903 22.651 {ca lys a 43}46.712 2.525 25.942 {ca ser a 44}43.971 4.321 27.744 {ca glu a 45}41.366 2.888 25.488 {ca leu a 46}42.854 -0.529 25.863 {ca asp a 47}43.117 -0.293 29.639 {ca lys a 48}39.469 0.539 29.736 {ca ala a 49}38.664 -2.379 27.557 {ca ile a 50}40.593 -4.761 29.510 {ca gly a 51}39.782 -3.773 33.004 {ca arg a 52}43.398 -3.004 33.992 {ca asn a 53}46.612 -1.175 33.569 {ca thr a 54}48.057 -3.025 30.554 {ca asn a 55}50.955 -0.680 29.772 {ca gly a 56}50.171 -1.753 26.218 {ca val a 57}50.539 -5.493 26.395 {ca ile a 58}47.934 -8.162 26.936 {ca thr a 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3}31.031 -17.183 10.091 {sg cys a 97}31.590 -17.999 8.290 {cb cys a 97}32.149 -16.561 7.328 {ca cys a 97}31.143 -15.393 7.275 {ca cys a 9}P 43.344 -15.938 9.542 {cb cys a 9}42.766 -16.790 8.402 {sg cys a 9}42.621 -18.541 8.812 {sg cys a 164}44.487 -19.189 8.451 {cb cys a 164}44.470 -19.860 6.775 {ca cys a 164}45.767 -20.629 6.509 @group {T4 3 SS} dominant animate @vectorlist {Calphas} color= green {ca met 1}P 36.246 -23.759 8.817 {ca asn 2}33.928 -21.309 10.465 {ca cys 3}33.516 -17.599 10.732 {ca phe 4}35.943 -17.254 13.581 {ca glu 5}38.606 -19.274 11.799 {ca met 6}38.105 -17.268 8.724 {ca leu 7}38.594 -14.088 10.760 {ca arg 8}41.586 -15.407 12.610 {ca cys 9}43.109 -16.308 9.261 {ca asp 10}42.726 -12.778 7.919 {ca glu 11}43.445 -10.699 11.004 {ca gly 12}46.200 -12.765 12.451 {ca leu 13}47.259 -11.962 16.024 {ca arg 14}49.378 -9.145 17.382 {ca leu 15}49.996 -8.396 21.039 {ca lys 16}51.325 -4.873 20.302 {ca ile 17}49.658 -1.954 18.629 {ca tyr 18}50.017 -1.839 14.842 {ca lys 19}48.248 -0.272 11.881 {ca asp 20}45.925 -2.334 9.674 {ca cys 21}45.687 -2.024 5.925 {ca glu 22}43.181 0.818 6.547 {ca gly 23}45.977 2.660 8.375 {ca tyr 24}44.353 2.476 11.822 {ca tyr 25}45.907 1.475 15.167 {ca thr 26}44.706 -1.960 15.856 {ca ile 27}45.639 -4.791 18.231 {ca gly 28}45.131 -8.522 19.013 {ca ile 29}42.880 -10.206 16.429 {ca gly 30}41.651 -7.219 14.308 {ca his 31}40.785 -5.076 17.280 {ca leu 32}40.423 -1.468 16.161 {ca leu 33}41.575 0.935 18.826 {ca thr 34}41.111 4.343 17.172 {ca lys 35}40.497 6.070 13.855 {ca ser 36}42.651 8.853 15.252 {ca pro 37}46.140 9.297 13.900 {ca ser 38}47.648 9.489 17.395 {ca leu 39}49.365 6.667 19.190 {ca asn 40}48.605 8.280 22.409 {ca ala 41}44.869 8.082 21.706 {ca ala 42}45.145 4.397 20.727 {ca lys 43}47.150 3.826 23.882 {ca ser 44}44.438 5.384 25.938 {ca glu 45}41.811 3.441 24.181 {ca leu 46}43.754 0.302 24.790 {ca asp 47}43.856 0.686 28.532 {ca lys 48}40.206 1.713 28.633 {ca ala 49}39.176 -1.375 26.621 {ca ile 50}41.444 -3.605 28.742 {ca gly 51}40.785 -2.134 32.136 {ca arg 52}44.386 -2.110 33.107 {ca asn 53}47.645 -0.319 32.328 {ca thr 54}48.854 -2.369 29.402 {ca asn 55}51.491 0.039 28.385 {ca gly 56}50.885 -1.037 24.760 {ca val 57}50.923 -4.743 25.021 {ca ile 58}48.213 -7.280 25.819 {ca thr 59}48.017 -10.926 26.482 {ca lys 60}46.911 -13.651 24.212 {ca asp 61}43.775 -14.249 26.267 {ca glu 62}43.055 -10.638 26.451 {ca ala 63}43.047 -10.649 22.638 {ca glu 64}40.779 -13.597 22.628 {ca lys 65}38.373 -11.743 24.881 {ca leu 66}38.311 -8.676 22.688 {ca phe 67}37.822 -10.883 19.659 {ca asn 68}34.721 -12.572 21.056 {ca gln 69}33.274 -9.244 21.844 {ca asp 70}34.148 -7.897 18.392 {ca val 71}32.595 -10.818 16.607 {ca asp 72}29.449 -10.356 18.752 {ca ala 73}29.379 -6.757 17.844 {ca ala 74}29.582 -7.601 14.046 {ca val 75}26.705 -10.101 14.297 {ca arg 76}24.735 -7.607 16.312 {ca gly 77}25.061 -4.768 13.770 {ca ile 78}24.108 -6.979 10.887 {ca leu 79}20.962 -8.221 12.584 {ca arg 80}19.862 -4.825 13.463 {ca asn 81}20.674 -3.237 10.145 {ca ala 82}17.830 -3.184 7.707 {ca lys 83}20.269 -3.098 4.806 {ca leu 84}22.311 -6.061 6.094 {ca lys 85}19.915 -8.404 7.877 {ca pro 86}17.990 -9.563 4.784 {ca val 87}21.216 -10.099 2.899 {ca tyr 88}22.531 -12.090 5.765 {ca asp 89}19.443 -14.186 6.133 {ca ser 90}19.455 -15.047 2.436 {ca leu 91}23.020 -16.276 2.220 {ca asp 92}24.402 -19.705 2.771 {ca ala 93}26.687 -20.446 5.737 {ca val 94}29.951 -19.868 4.051 {ca arg 95}28.851 -16.603 2.405 {ca arg 96}27.449 -15.395 5.716 {ca cys 97}30.892 -15.667 7.107 {ca ala 98}32.189 -13.413 4.327 {ca leu 99}29.567 -10.815 5.273 {ca ile 100}30.553 -10.927 8.893 {ca asn 101}34.138 -10.545 7.838 {ca met 102}33.360 -7.258 5.989 {ca val 103}31.302 -5.954 8.920 {ca phe 104}33.996 -6.825 11.449 {ca gln 105}36.515 -5.040 9.415 {ca met 106}34.696 -1.965 8.216 {ca gly 107}31.674 -1.652 10.367 {ca glu 108}27.998 -1.826 9.822 {ca thr 109}27.712 1.631 8.142 {ca gly 110}30.624 0.982 5.854 {ca val 111}29.230 -2.252 4.383 {ca ala 112}25.762 -0.868 4.315 {ca gly 113}27.131 1.559 1.773 {ca phe 114}27.839 -1.192 -0.838 {ca thr 115}24.296 -0.942 -2.055 {ca asn 116}24.665 -2.664 -5.448 {ca ser 117}26.839 -5.504 -4.254 {ca leu 118}24.401 -6.131 -1.429 {ca arg 119}21.618 -6.385 -3.878 {ca met 120}23.550 -8.614 -6.180 {ca leu 121}24.460 -11.011 -3.411 {ca gln 122}20.916 -11.170 -2.324 {ca gln 123}19.870 -12.070 -5.828 {ca lys 124}22.585 -14.663 -6.161 {ca arg 125}24.406 -12.749 -8.883 {ca trp 126}27.817 -13.860 -7.538 {ca asp 127}30.016 -12.770 -10.399 {ca glu 128}28.305 -9.408 -10.591 {ca ala 129}28.736 -8.967 -6.866 {ca ala 130}32.420 -9.827 -7.143 {ca val 131}33.175 -7.366 -9.883 {ca asn 132}31.420 -4.704 -7.959 {ca leu 133}33.255 -5.296 -4.703 {ca ala 134}36.580 -5.170 -6.463 {ca lys 135}35.784 -1.565 -7.510 {ca ser 136}35.956 -0.286 -3.942 {ca arg 137}38.718 1.595 -2.120 {ca trp 138}38.557 -1.181 0.413 {ca tyr 139}39.990 -3.538 -2.331 {ca asn 140}42.737 -1.142 -3.238 {ca gln 141}43.771 -0.710 0.348 {ca cys 142}43.556 -4.394 1.519 {ca pro 143}43.809 -6.398 -1.785 {ca asn 144}45.001 -9.649 -0.347 {ca arg 145}42.321 -9.768 2.267 {ca ala 146}39.650 -8.334 -0.067 {ca lys 147}40.472 -10.885 -2.772 {ca arg 148}40.104 -13.617 -0.276 {ca val 149}36.707 -12.334 0.916 {ca ile 150}35.608 -11.763 -2.577 {ca thr 151}36.540 -15.166 -3.798 {ca thr 152}34.401 -16.552 -1.037 {ca phe 153}31.319 -14.635 -2.156 {ca arg 154}31.913 -15.678 -5.721 {ca thr 155}32.423 -19.296 -5.034 {ca gly 156}30.703 -20.005 -1.869 {ca thr 157}33.555 -22.435 -0.914 {ca trp 158}36.471 -22.078 1.527 {ca asp 159}39.062 -22.360 -1.257 {ca ala 160}40.674 -19.056 -0.363 {ca tyr 161}41.334 -20.166 3.180 {ca lys 162}42.383 -23.677 2.372 {ca asn 163}46.044 -23.238 3.484 {ca cys 164}45.250 -21.198 6.529 @subgroup {SS} dominant master= {SS} @balllist {S} color= gold radius= 0.2 {sg cys 3}30.830 -17.403 9.898 {sg cys 97}31.323 -18.162 8.168 {sg cys 21}43.602 -3.670 5.362 {sg cys 142}42.549 -3.104 3.771 {sg cys 9}42.191 -18.820 8.592 {sg cys 164}44.028 -19.653 8.537 @vectorlist {SS} color= yellow {ca cys 3}P 33.516 -17.599 10.732 {cb cys 3}32.259 -16.722 10.773 {sg cys 3}30.830 -17.403 9.898 {sg cys 97}31.323 -18.162 8.168 {cb cys 97}31.899 -16.845 7.113 {ca cys 97}30.892 -15.667 7.107 {ca cys 21}P 45.687 -2.024 5.925 {cb cys 21}45.329 -3.185 4.991 {sg cys 21}43.602 -3.670 5.362 {sg cys 142}42.549 -3.104 3.771 {cb cys 142}42.515 -4.511 2.641 {ca cys 142}43.556 -4.394 1.519 {ca cys 9}P 43.109 -16.308 9.261 {cb cys 9}42.504 -17.118 8.131 {sg cys 9}42.191 -18.820 8.592 {sg cys 164}44.028 -19.653 8.537 {cb cys 164}44.110 -20.181 6.780 {ca cys 164}45.250 -21.198 6.529 @group {T4 wildtype} dominant 2animate @vectorlist {Calphas} color= white {ca met 1}P 36.900 -23.524 8.993 {ca asn 2}34.757 -20.992 10.896 {ca ile 3}34.437 -17.218 11.334 {ca phe 4}37.022 -17.162 14.104 {ca glu 5}39.711 -19.023 12.179 {ca met 6}38.919 -16.971 9.102 {ca leu 7}39.362 -13.644 10.910 {ca arg 8}42.443 -14.885 12.735 {ca ile 9}44.038 -15.487 9.360 {ca asp 10}43.093 -12.059 8.011 {ca glu 11}43.921 -9.937 11.067 {ca gly 12}46.836 -11.766 12.720 {ca leu 13}47.489 -11.655 16.490 {ca arg 14}49.679 -8.925 18.103 {ca leu 15}50.051 -8.550 21.875 {ca lys 16}51.526 -5.013 21.866 {ca ile 17}49.796 -1.816 20.523 {ca tyr 18}50.377 -1.512 16.785 {ca lys 19}49.272 0.563 13.823 {ca asp 20}46.810 -1.014 11.420 {ca thr 21}46.966 -0.705 7.631 {ca glu 22}45.296 2.693 7.950 {ca gly 23}47.775 3.877 10.551 {ca tyr 24}45.366 3.476 13.474 {ca tyr 25}46.196 2.208 16.951 {ca thr 26}45.101 -1.458 17.332 {ca ile 27}45.844 -4.478 19.419 {ca gly 28}45.085 -8.236 19.484 {ca ile 29}43.116 -9.700 16.623 {ca gly 30}42.277 -6.453 14.784 {ca his 31}40.675 -4.637 17.728 {ca leu 32}40.761 -0.933 16.797 {ca leu 33}41.535 1.222 19.786 {ca thr 34}41.208 4.795 18.464 {ca lys 35}41.465 6.773 15.291 {ca ser 36}43.356 9.365 17.323 {ca pro 37}47.003 10.052 16.704 {ca ser 38}47.986 9.917 20.320 {ca leu 39}49.601 6.754 21.622 {ca asn 40}48.462 8.082 24.891 {ca ala 41}44.850 8.203 23.855 {ca ala 42}45.395 4.580 22.721 {ca lys 43}46.906 3.387 25.938 {ca ser 44}43.972 4.898 27.762 {ca glu 45}41.379 3.192 25.579 {ca leu 46}43.216 -0.072 26.042 {ca asp 47}43.151 0.068 29.837 {ca lys 48}39.465 0.989 29.706 {ca ala 49}38.762 -1.966 27.425 {ca ile 50}40.693 -4.536 29.512 {ca gly 51}39.976 -3.222 32.968 {ca arg 52}43.588 -3.022 34.052 {ca asn 53}46.713 -0.960 33.601 {ca cys 54}48.221 -2.670 30.657 {ca asn 55}50.968 -0.344 29.706 {ca gly 56}50.278 -1.118 25.984 {ca val 57}50.571 -4.830 26.339 {ca ile 58}47.995 -7.639 26.758 {ca thr 59}47.962 -11.446 27.124 {ca lys 60}46.694 -14.039 24.653 {ca asp 61}43.630 -14.611 26.806 {ca glu 62}42.798 -10.844 26.844 {ca ala 63}43.250 -10.770 23.044 {ca glu 64}40.854 -13.613 22.598 {ca lys 65}38.300 -12.109 24.910 {ca leu 66}38.256 -8.850 22.921 {ca phe 67}37.984 -11.002 19.794 {ca asn 68}34.920 -12.880 21.080 {ca gln 69}33.260 -9.535 21.902 {ca asp 70}34.040 -8.075 18.536 {ca val 71}32.673 -11.039 16.530 {ca asp 72}29.482 -11.064 18.638 {ca ala 73}29.041 -7.327 18.192 {ca ala 74}29.605 -7.662 14.378 {ca val 75}26.881 -10.376 14.171 {ca arg 76}24.386 -8.421 16.385 {ca gly 77}25.051 -5.341 14.336 {ca ile 78}24.190 -7.056 11.064 {ca leu 79}20.982 -8.461 12.648 {ca arg 80}19.944 -5.002 13.784 {ca asn 81}20.727 -3.305 10.564 {ca ala 82}17.818 -2.859 8.116 {ca lys 83}20.037 -2.989 5.137 {ca leu 84}22.228 -5.869 6.214 {ca lys 85}19.793 -8.274 7.855 {ca pro 86}17.896 -9.176 4.710 {ca val 87}21.160 -9.970 2.909 {ca tyr 88}22.448 -12.068 5.800 {ca asp 89}19.206 -14.007 6.030 {ca ser 90}19.319 -14.789 2.352 {ca leu 91}22.812 -16.267 2.418 {ca asp 92}24.229 -19.760 2.945 {ca ala 93}26.549 -20.464 5.973 {ca val 94}29.892 -19.850 4.232 {ca arg 95}28.779 -16.616 2.562 {ca arg 96}27.413 -15.381 5.884 {ca cys 97}30.997 -15.587 7.183 {ca ala 98}32.218 -13.374 4.313 {ca leu 99}29.722 -10.630 5.241 {ca ile 100}30.665 -10.852 8.888 {ca asn 101}34.386 -10.430 7.882 {ca met 102}33.538 -7.211 5.935 {ca val 103}31.545 -5.793 8.895 {ca phe 104}34.339 -6.593 11.314 {ca gln 105}36.891 -4.773 9.142 {ca met 106}34.921 -1.812 8.007 {ca gly 107}31.921 -1.352 10.299 {ca glu 108}28.170 -1.714 9.689 {ca thr 109}27.902 1.669 8.136 {ca gly 110}30.724 1.090 5.739 {ca val 111}29.349 -2.210 4.431 {ca ala 112}25.769 -0.850 4.322 {ca gly 113}27.189 1.671 1.840 {ca phe 114}27.871 -1.107 -0.752 {ca thr 115}24.312 -0.809 -2.042 {ca asn 116}24.705 -2.373 -5.452 {ca ser 117}26.859 -5.314 -4.310 {ca leu 118}24.388 -6.078 -1.488 {ca arg 119}21.540 -6.185 -4.036 {ca met 120}23.481 -8.576 -6.265 {ca leu 121}24.393 -10.882 -3.391 {ca gln 122}20.742 -10.967 -2.343 {ca gln 123}19.858 -11.961 -5.853 {ca lys 124}22.544 -14.626 -5.808 {ca arg 125}24.383 -13.180 -8.839 {ca trp 126}27.799 -14.362 -7.627 {ca asp 127}30.031 -13.374 -10.466 {ca glu 128}28.456 -10.008 -10.817 {ca ala 129}28.730 -9.212 -7.182 {ca ala 130}32.460 -10.199 -7.135 {ca val 131}33.248 -7.834 -9.968 {ca asn 132}31.278 -4.964 -8.284 {ca leu 133}32.887 -5.486 -4.866 {ca ala 134}36.383 -5.104 -6.463 {ca lys 135}35.526 -1.545 -7.562 {ca ser 136}36.096 -0.048 -4.158 {ca arg 137}38.736 1.699 -2.096 {ca trp 138}38.607 -1.453 0.169 {ca tyr 139}39.873 -3.673 -2.684 {ca asn 140}42.575 -1.195 -3.781 {ca gln 141}43.850 -0.664 -0.247 {ca thr 142}43.933 -4.330 1.010 {ca pro 143}43.754 -6.382 -2.183 {ca asn 144}44.950 -9.791 -0.830 {ca arg 145}42.428 -9.810 2.003 {ca ala 146}39.645 -8.362 -0.235 {ca lys 147}40.332 -11.084 -2.846 {ca arg 148}40.017 -13.801 -0.224 {ca val 149}36.625 -12.399 0.926 {ca ile 150}35.509 -11.879 -2.642 {ca thr 151}36.348 -15.478 -3.625 {ca thr 152}34.362 -16.650 -0.640 {ca phe 153}31.273 -14.795 -1.852 {ca arg 154}31.897 -15.913 -5.338 {ca thr 155}32.285 -19.655 -4.644 {ca gly 156}30.591 -20.276 -1.406 {ca thr 157}33.570 -22.455 -0.329 {ca trp 158}36.614 -21.931 1.898 {ca asp 159}39.131 -22.426 -0.836 {ca ala 160}40.764 -18.969 -0.472 {ca tyr 161}41.745 -19.826 3.036 {ca lys 162}42.739 -23.519 2.699 {ca asn 163}45.908 -22.467 1.444 {ca leu 164}46.721 -20.175 4.378 @balllist {S} color= yellow radius= .2 master= {mut sc} {sg cys 97}31.386 -17.993 8.406 @vectorlist {mut sc} color= cyan master= {mut sc} {ca ile 3}P 34.437 -17.218 11.334 {cb ile 3}33.162 -16.447 11.738 {cg1 ile 3}33.339 -14.925 11.539 {cd1 ile 3}33.713 -14.481 10.097 {cb ile 3}P 33.162 -16.447 11.738 {cg2 ile 3}32.754 -16.772 13.189 {ca cys 97}P 30.997 -15.587 7.183 {cb cys 97}31.904 -16.821 7.145 {sg cys 97}31.386 -17.993 8.406 @group {T4 1 SS} dominant 2animate @vectorlist {Calphas} color= greentint {ca met 1}P 37.302 -24.007 9.124 {ca asn 2}35.185 -21.350 10.645 {ca cys 3}35.035 -17.667 11.031 {ca phe 4}37.857 -17.657 13.575 {ca glu 5}40.304 -19.132 11.199 {ca met 6}39.514 -16.711 8.384 {ca leu 7}40.028 -13.743 10.665 {ca arg 8}43.028 -15.301 12.372 {ca ile 9}44.544 -15.229 8.889 {ca asp 10}43.316 -11.823 7.663 {ca glu 11}43.719 -9.863 10.780 {ca gly 12}45.954 -11.863 13.100 {ca leu 13}45.690 -13.509 16.508 {ca arg 14}47.757 -12.232 19.465 {ca leu 15}47.851 -14.235 22.730 {ca lys 16}49.528 -11.533 24.885 {ca ile 17}48.126 -8.042 25.521 {ca tyr 18}49.357 -5.618 22.783 {ca lys 19}48.687 -1.919 21.970 {ca asp 20}46.805 -1.280 18.748 {ca thr 21}47.721 1.427 16.188 {ca glu 22}46.221 4.059 18.505 {ca gly 23}47.804 2.800 21.738 {ca tyr 24}44.940 0.793 23.197 {ca tyr 25}45.470 -2.483 25.041 {ca thr 26}44.112 -5.316 22.982 {ca ile 27}44.279 -9.024 22.696 {ca gly 28}43.109 -11.957 20.634 {ca ile 29}41.755 -10.971 17.301 {ca gly 30}41.518 -7.196 17.858 {ca his 31}39.620 -7.600 21.158 {ca leu 32}39.729 -4.277 22.944 {ca leu 33}40.350 -4.550 26.616 {ca thr 34}40.109 -0.937 27.802 {ca lys 35}40.694 2.591 26.726 {ca ser 36}42.586 3.223 29.938 {ca pro 37}46.369 3.847 29.637 {ca ser 38}47.080 1.389 32.323 {ca leu 39}48.660 -1.997 31.599 {ca asn 40}47.314 -3.147 35.043 {ca ala 41}43.843 -1.959 34.290 {ca ala 42}44.209 -3.862 31.036 {ca lys 43}45.287 -7.043 32.818 {ca ser 44}42.411 -6.477 35.300 {ca glu 45}39.857 -6.407 32.506 {ca leu 46}41.266 -9.569 30.998 {ca asp 47}41.008 -11.537 34.234 {ca lys 48}37.376 -10.326 34.439 {ca ala 49}36.556 -11.381 30.990 {ca ile 50}38.346 -14.701 31.329 {ca gly 51}37.374 -15.253 34.827 {ca arg 52}40.796 -16.139 35.849 {ca asn 53}44.255 -14.938 36.706 {ca cys 54}45.989 -14.513 33.388 {ca asn 55}48.609 -11.915 33.765 {ca gly 56}47.958 -10.771 30.222 {ca val 57}48.316 -14.033 28.424 {ca ile 58}45.559 -16.248 27.097 {ca thr 59}45.129 -19.541 25.315 {ca lys 60}43.850 -19.975 21.778 {ca asp 61}40.686 -21.330 23.035 {ca glu 62}40.129 -18.285 25.185 {ca ala 63}40.758 -15.942 22.412 {ca glu 64}38.200 -17.888 20.474 {ca lys 65}35.722 -17.321 23.231 {ca leu 66}36.344 -13.558 22.996 {ca phe 67}36.259 -13.557 19.235 {ca asn 68}32.804 -15.176 19.365 {ca gln 69}31.467 -12.488 21.736 {ca asp 70}32.803 -9.893 19.347 {ca val 71}31.108 -11.741 16.507 {ca asp 72}27.824 -11.815 18.368 {ca ala 73}27.908 -8.055 18.967 {ca ala 74}28.623 -7.479 15.254 {ca val 75}25.657 -9.616 14.235 {ca arg 76}23.399 -7.986 16.640 {ca gly 77}24.141 -4.720 14.934 {ca ile 78}23.709 -6.165 11.514 {ca leu 79}20.336 -7.399 12.389 {ca arg 80}19.188 -3.877 13.409 {ca asn 81}20.342 -2.649 9.950 {ca ala 82}17.717 -2.618 7.188 {ca lys 83}20.123 -2.840 4.407 {ca leu 84}22.215 -5.514 5.911 {ca lys 85}19.688 -7.587 7.621 {ca pro 86}18.105 -9.328 4.603 {ca val 87}21.489 -10.123 3.009 {ca tyr 88}22.959 -11.732 6.110 {ca asp 89}19.673 -13.444 6.512 {ca ser 90}20.055 -14.805 3.068 {ca leu 91}23.710 -16.069 3.106 {ca asp 92}25.152 -19.357 4.052 {ca ala 93}27.560 -19.745 6.951 {ca val 94}30.670 -19.412 4.996 {ca arg 95}29.354 -16.371 3.157 {ca arg 96}28.185 -14.916 6.440 {ca cys 97}31.779 -15.112 7.612 {ca ala 98}32.929 -13.056 4.621 {ca leu 99}30.387 -10.335 5.368 {ca ile 100}31.511 -10.220 8.979 {ca asn 101}34.978 -10.012 7.838 {ca met 102}34.078 -6.855 5.973 {ca val 103}32.285 -5.374 8.929 {ca phe 104}35.262 -5.981 11.146 {ca gln 105}37.419 -4.284 8.593 {ca met 106}35.489 -1.150 7.694 {ca gly 107}32.551 -1.094 10.086 {ca glu 108}28.844 -1.457 9.728 {ca thr 109}28.477 1.822 8.054 {ca gly 110}31.120 1.198 5.402 {ca val 111}29.544 -2.095 4.298 {ca ala 112}26.089 -0.616 4.175 {ca gly 113}27.532 1.581 1.449 {ca phe 114}27.815 -1.341 -1.095 {ca thr 115}24.214 -0.885 -2.109 {ca asn 116}24.409 -2.713 -5.273 {ca ser 117}26.818 -5.373 -4.213 {ca leu 118}24.631 -6.166 -1.406 {ca arg 119}21.659 -6.428 -3.703 {ca met 120}23.409 -8.929 -5.885 {ca leu 121}24.478 -11.010 -2.945 {ca gln 122}20.959 -11.330 -1.665 {ca gln 123}19.975 -12.561 -5.089 {ca lys 124}22.833 -15.127 -5.398 {ca arg 125}24.469 -13.445 -8.358 {ca trp 126}27.835 -14.457 -7.081 {ca asp 127}29.868 -13.486 -10.071 {ca glu 128}28.273 -10.141 -10.638 {ca ala 129}28.765 -9.485 -6.972 {ca ala 130}32.401 -10.364 -7.216 {ca val 131}32.743 -8.089 -10.256 {ca asn 132}31.003 -5.417 -8.434 {ca leu 133}33.009 -5.723 -5.368 {ca ala 134}36.265 -5.373 -7.251 {ca lys 135}35.477 -1.754 -8.261 {ca ser 136}35.458 -0.489 -4.695 {ca arg 137}37.970 1.628 -3.130 {ca trp 138}38.478 -1.154 -0.554 {ca tyr 139}39.589 -3.599 -3.235 {ca asn 140}42.305 -1.271 -4.247 {ca gln 141}43.566 -0.471 -0.738 {ca thr 142}43.811 -3.983 0.803 {ca pro 143}43.806 -6.094 -2.264 {ca asn 144}45.084 -9.371 -0.758 {ca arg 145}42.474 -9.398 1.917 {ca ala 146}39.833 -8.104 -0.440 {ca lys 147}40.584 -10.757 -3.081 {ca arg 148}40.244 -13.536 -0.440 {ca val 149}36.970 -12.121 0.846 {ca ile 150}35.465 -11.773 -2.631 {ca thr 151}36.585 -15.218 -3.585 {ca thr 152}34.715 -16.529 -0.518 {ca phe 153}31.568 -14.683 -1.578 {ca arg 154}32.036 -15.962 -5.077 {ca thr 155}32.582 -19.646 -4.281 {ca gly 156}30.951 -20.193 -0.875 {ca thr 157}34.080 -22.141 0.241 {ca trp 158}37.364 -21.485 2.036 {ca asp 159}39.449 -22.133 -0.990 {ca ala 160}41.001 -18.746 -0.874 {ca tyr 161}42.350 -19.650 2.504 {ca lys 162}43.292 -23.257 1.823 {ca asn 163}47.052 -23.070 1.953 {ca leu 164}47.466 -20.146 4.318 @subgroup {SS} master= {SS} @balllist {S} color= gold radius= 0.2 {sg cys 3}32.751 -16.100 10.642 {sg cys 97}32.391 -17.355 8.948 @vectorlist {SS} color= yellow {ca cys 3}P 35.035 -17.667 11.031 {cb cys 3}33.917 -16.916 11.747 {sg cys 3}32.751 -16.100 10.642 {sg cys 97}32.391 -17.355 8.948 {cb cys 97}32.725 -16.319 7.535 {ca cys 97}31.779 -15.112 7.612 @kinemage 3 @caption (B&T Fig. 17.5) Stabilizing mutants in T4 lysozyme. Animate for Asp at helix N-termini. 2animate for Gly to Ala and Ala to Pro. (from PDB files 3LZM, 1L19, 1L20, 1L23, 1L24) @onewidth @zoom 1.1 @zslab 160 @center 38.348 -4.773 9.87 @matrix 0.55533 -.591971 -.584105 .780367 .128146 .612051 -.287465 -.795707 .533118 @2viewid {Ser38Asp} @2zoom 2.47 @2center 45.446 6.046 23.12 @2matrix 0.560233 .452541 -.693792 .233549 .717296 .656461 .794729 -.529804 .296163 @3viewid {Asn144Asp} @3zoom 2.57 @3zslab 133 @3center 42.984 -8.284 -.548 @3matrix 0.689466 .60262 .401852 -.527271 .797958 -.291972 -.49661 -.01058 .86791 @4viewid {G77Ala, A82Pro} @4zoom 2.37 @4zslab 105 @4center 22.321 -6.065 12.858 @4matrix 0.366952 -.378189 -.849894 .927217 .222294 .301419 .074933 -.898643 .432234 @master {Hbonds} @master {nearby sc} @group {T4 wildtype} dominant animate @vectorlist {mc} color= white {ca met 1}P 36.900 -23.524 8.993 {ca asn 2}34.757 -20.992 10.896 {ca ile 3}34.437 -17.218 11.334 {ca phe 4}37.022 -17.162 14.104 {ca glu 5}39.711 -19.023 12.179 {ca met 6}38.919 -16.971 9.102 {ca leu 7}39.362 -13.644 10.910 {ca arg 8}42.443 -14.885 12.735 {ca ile 9}44.038 -15.487 9.360 {ca asp 10}43.093 -12.059 8.011 {ca glu 11}43.921 -9.937 11.067 {ca gly 12}46.836 -11.766 12.720 {ca leu 13}47.489 -11.655 16.490 {ca arg 14}49.679 -8.925 18.103 {ca leu 15}50.051 -8.550 21.875 {ca lys 16}51.526 -5.013 21.866 {ca ile 17}49.796 -1.816 20.523 {ca tyr 18}50.377 -1.512 16.785 {ca lys 19}49.272 0.563 13.823 {ca asp 20}46.810 -1.014 11.420 {ca thr 21}46.966 -0.705 7.631 {ca glu 22}45.296 2.693 7.950 {ca gly 23}47.775 3.877 10.551 {ca tyr 24}45.366 3.476 13.474 {ca tyr 25}46.196 2.208 16.951 {ca thr 26}45.101 -1.458 17.332 {ca ile 27}45.844 -4.478 19.419 {ca gly 28}45.085 -8.236 19.484 {ca ile 29}43.116 -9.700 16.623 {ca gly 30}42.277 -6.453 14.784 {ca his 31}40.675 -4.637 17.728 {ca leu 32}40.761 -0.933 16.797 {ca leu 33}41.535 1.222 19.786 {ca thr 34}41.208 4.795 18.464 {ca lys 35}41.465 6.773 15.291 {c lys 35}42.372 7.966 15.575 {o lys 35}42.936 8.562 14.689 {c lys 35}P 42.372 7.966 15.575 {n ser 36}42.515 8.287 16.841 {ca ser 36}43.356 9.365 17.323 {c ser 36}44.864 9.082 17.218 {o ser 36}45.390 7.973 17.417 {c ser 36}P 44.864 9.082 17.218 {n pro 37}45.583 10.142 16.905 {ca pro 37}47.003 10.052 16.704 {c pro 37}47.838 9.875 17.950 {o pro 37}49.033 9.572 17.873 {c pro 37}P 47.838 9.875 17.950 {n ser 38}47.222 10.027 19.104 {ca ser 38}47.986 9.917 20.320 {c ser 38}48.110 8.516 20.863 {o ser 38}47.106 7.879 21.139 {c ser 38}P 48.110 8.516 20.863 {n leu 39}49.348 8.064 21.062 {ca leu 39}49.601 6.754 21.622 {c leu 39}49.071 6.758 23.025 {o leu 39}48.805 5.727 23.648 {c leu 39}P 49.071 6.758 23.025 {n asn 40}48.933 7.961 23.534 {ca asn 40}48.462 8.082 24.891 {c asn 40}46.977 7.827 24.970 {o asn 40}46.503 7.116 25.868 {c asn 40}P 46.977 7.827 24.970 {n ala 41}46.280 8.385 23.986 {ca ala 41}44.850 8.203 23.855 {c ala 41}44.590 6.709 23.661 {o ala 41}43.649 6.163 24.198 {c ala 41}P 44.590 6.709 23.661 {n ala 42}45.497 6.023 22.964 {ca ala 42}45.395 4.580 22.721 {c ala 42}45.625 3.777 23.964 {o ala 42}44.963 2.755 24.224 {c ala 42}P 45.625 3.777 23.964 {n lys 43}46.610 4.165 24.731 {ca lys 43}46.906 3.387 25.938 {c lys 43}45.760 3.481 26.948 {o lys 43}45.461 2.535 27.674 {c lys 43}P 45.760 3.481 26.948 {n ser 44}45.100 4.628 26.918 {ca ser 44}43.972 4.898 27.762 {c ser 44}42.750 4.050 27.370 {o ser 44}42.039 3.486 28.201 {c ser 44}P 42.750 4.050 27.370 {n glu 45}42.495 3.972 26.092 {ca glu 45}41.379 3.192 25.579 {c glu 45}41.611 1.733 25.900 {o glu 45}40.702 0.993 26.273 {c glu 45}P 41.611 1.733 25.900 {n leu 46}42.854 1.306 25.755 {ca leu 46}43.216 -0.072 26.042 {c leu 46}42.936 -0.468 27.486 {o leu 46}42.357 -1.524 27.791 {c leu 46}P 42.936 -0.468 27.486 {n asp 47}43.372 0.375 28.409 {ca asp 47}43.151 0.068 29.837 {c asp 47}41.677 0.035 30.180 {o asp 47}41.260 -0.760 30.993 {c asp 47}P 41.677 0.035 30.180 {n lys 48}40.914 0.914 29.524 {ca lys 48}39.465 0.989 29.706 {c lys 48}38.817 -0.313 29.160 {o lys 48}37.928 -0.896 29.747 {c lys 48}P 38.817 -0.313 29.160 {n ala 49}39.296 -0.774 28.015 {ca ala 49}38.762 -1.966 27.425 {c ala 49}39.073 -3.249 28.184 {o ala 49}38.268 -4.177 28.201 {c ala 49}P 39.073 -3.249 28.184 {n ile 50}40.230 -3.325 28.802 {ca ile 50}40.693 -4.536 29.512 {c ile 50}40.346 -4.535 30.993 {o ile 50}40.100 -5.574 31.611 {c ile 50}P 40.346 -4.535 30.993 {n gly 51}40.319 -3.343 31.555 {ca gly 51}39.976 -3.222 32.968 {ca arg 52}43.588 -3.022 34.052 {ca asn 53}46.713 -0.960 33.601 {ca cys 54}48.221 -2.670 30.657 {ca asn 55}50.968 -0.344 29.706 {ca gly 56}50.278 -1.118 25.984 {ca val 57}50.571 -4.830 26.339 {ca ile 58}47.995 -7.639 26.758 {ca thr 59}47.962 -11.446 27.124 {c thr 59}47.110 -12.068 26.020 {o thr 59}46.170 -11.460 25.534 {c thr 59}P 47.110 -12.068 26.020 {n lys 60}47.417 -13.322 25.670 {ca lys 60}46.694 -14.039 24.653 {c lys 60}45.206 -14.134 24.991 {o lys 60}44.335 -13.900 24.156 {c lys 60}P 45.206 -14.134 24.991 {n asp 61}44.948 -14.496 26.250 {ca asp 61}43.630 -14.611 26.806 {c asp 61}42.812 -13.331 26.645 {o asp 61}41.632 -13.401 26.298 {c asp 61}P 42.812 -13.331 26.645 {n glu 62}43.435 -12.164 26.951 {ca glu 62}42.798 -10.844 26.844 {c glu 62}42.506 -10.563 25.362 {o glu 62}41.443 -10.072 25.039 {c glu 62}P 42.506 -10.563 25.362 {n ala 63}43.442 -10.952 24.482 {ca ala 63}43.250 -10.770 23.044 {c ala 63}42.052 -11.551 22.536 {o ala 63}41.272 -11.070 21.727 {c ala 63}P 42.052 -11.551 22.536 {n glu 64}41.943 -12.778 22.987 {ca glu 64}40.854 -13.613 22.598 {c glu 64}39.526 -13.175 23.190 {o glu 64}38.471 -13.375 22.584 {c glu 64}P 39.526 -13.175 23.190 {n lys 65}39.552 -12.582 24.341 {ca lys 65}38.300 -12.109 24.910 {c lys 65}37.753 -10.933 24.098 {o lys 65}36.560 -10.893 23.742 {c lys 65}P 37.753 -10.933 24.098 {n leu 66}38.655 -9.983 23.757 {ca leu 66}38.256 -8.850 22.921 {c leu 66}37.741 -9.373 21.562 {o leu 66}36.757 -8.859 21.024 {c leu 66}P 37.741 -9.373 21.562 {n phe 67}38.384 -10.437 21.058 {ca phe 67}37.984 -11.002 19.794 {c phe 67}36.562 -11.571 19.881 {o phe 67}35.739 -11.334 18.999 {c phe 67}P 36.562 -11.571 19.881 {n asn 68}36.255 -12.324 20.927 {ca asn 68}34.920 -12.880 21.080 {c asn 68}33.892 -11.744 21.125 {o asn 68}32.824 -11.795 20.510 {c asn 68}P 33.892 -11.744 21.125 {n gln 69}34.201 -10.672 21.856 {ca gln 69}33.260 -9.535 21.902 {c gln 69}33.037 -8.893 20.574 {o gln 69}31.910 -8.511 20.274 {c gln 69}P 33.037 -8.893 20.574 {n asp 70}34.134 -8.709 19.817 {ca asp 70}34.040 -8.075 18.536 {c asp 70}33.249 -8.844 17.514 {o asp 70}32.512 -8.232 16.706 {c asp 70}P 33.249 -8.844 17.514 {n val 71}33.395 -10.182 17.500 {ca val 71}32.673 -11.039 16.530 {c val 71}31.151 -11.010 16.867 {o val 71}30.298 -10.833 16.009 {c val 71}P 31.151 -11.010 16.867 {n asp 72}30.845 -11.129 18.170 {ca asp 72}29.482 -11.064 18.638 {c asp 72}28.825 -9.737 18.251 {o asp 72}27.668 -9.677 17.770 {c asp 72}P 28.825 -9.737 18.251 {n ala 73}29.551 -8.647 18.502 {ca ala 73}29.041 -7.327 18.192 {c ala 73}28.833 -7.163 16.693 {o ala 73}27.850 -6.537 16.285 {c ala 73}P 28.833 -7.163 16.693 {n ala 74}29.749 -7.743 15.864 {ca ala 74}29.605 -7.662 14.378 {c ala 74}28.297 -8.379 13.974 {o ala 74}27.495 -7.852 13.212 {c ala 74}P 28.297 -8.379 13.974 {n val 75}28.094 -9.608 14.484 {ca val 75}26.881 -10.376 14.171 {c val 75}25.584 -9.627 14.568 {o val 75}24.668 -9.485 13.754 {c val 75}P 25.584 -9.627 14.568 {n arg 76}25.535 -9.135 15.822 {ca arg 76}24.386 -8.421 16.385 {c arg 76}24.114 -7.158 15.592 {o arg 76}22.979 -6.779 15.363 {c arg 76}P 24.114 -7.158 15.592 {n gly 77}25.182 -6.536 15.115 {ca gly 77}25.051 -5.341 14.336 {c gly 77}24.386 -5.618 12.995 {o gly 77}23.555 -4.863 12.504 {c gly 77}P 24.386 -5.618 12.995 {n ile 78}24.780 -6.691 12.353 {ca ile 78}24.190 -7.056 11.064 {c ile 78}22.684 -7.328 11.256 {o ile 78}21.862 -6.879 10.459 {c ile 78}P 22.684 -7.328 11.256 {n leu 79}22.350 -8.054 12.345 {ca leu 79}20.982 -8.461 12.648 {c leu 79}20.073 -7.320 12.958 {o leu 79}18.884 -7.437 12.750 {c leu 79}P 20.073 -7.320 12.958 {n arg 80}20.662 -6.225 13.436 {ca arg 80}19.944 -5.002 13.784 {c arg 80}19.905 -4.019 12.647 {o arg 80}19.196 -3.038 12.704 {c arg 80}P 19.905 -4.019 12.647 {n asn 81}20.682 -4.236 11.623 {ca asn 81}20.727 -3.305 10.564 {c asn 81}19.704 -3.611 9.475 {o asn 81}19.613 -4.721 8.972 {c asn 81}P 19.704 -3.611 9.475 {n ala 82}18.888 -2.625 9.101 {ca ala 82}17.818 -2.859 8.116 {c ala 82}18.300 -3.162 6.723 {o ala 82}17.637 -3.805 5.929 {c ala 82}P 18.300 -3.162 6.723 {n lys 83}19.502 -2.724 6.429 {ca lys 83}20.037 -2.989 5.137 {c lys 83}20.778 -4.301 5.086 {o lys 83}20.831 -4.955 4.055 {c lys 83}P 20.778 -4.301 5.086 {n leu 84}21.406 -4.653 6.197 {ca leu 84}22.228 -5.869 6.214 {c leu 84}21.503 -7.165 6.501 {o leu 84}21.865 -8.190 5.961 {c leu 84}P 21.503 -7.165 6.501 {n lys 85}20.554 -7.109 7.421 {ca lys 85}19.793 -8.274 7.855 {c lys 85}19.194 -9.106 6.722 {o lys 85}19.295 -10.307 6.712 {c lys 85}P 19.194 -9.106 6.722 {n pro 86}18.520 -8.465 5.799 {ca pro 86}17.896 -9.176 4.710 {c pro 86}18.919 -9.893 3.881 {o pro 86}18.704 -11.002 3.472 {c pro 86}P 18.919 -9.893 3.881 {n val 87}20.074 -9.295 3.682 {ca val 87}21.160 -9.970 2.909 {c val 87}21.684 -11.210 3.639 {o val 87}21.759 -12.318 3.124 {c val 87}P 21.684 -11.210 3.639 {n tyr 88}21.978 -11.027 4.931 {ca tyr 88}22.448 -12.068 5.800 {c tyr 88}21.493 -13.246 5.793 {o tyr 88}21.900 -14.416 5.605 {c tyr 88}P 21.493 -13.246 5.793 {n asp 89}20.201 -12.945 5.987 {ca asp 89}19.206 -14.007 6.030 {c asp 89}19.111 -14.785 4.741 {o asp 89}18.766 -15.980 4.754 {c asp 89}P 19.111 -14.785 4.741 {n ser 90}19.410 -14.115 3.611 {ca ser 90}19.319 -14.789 2.352 {c ser 90}20.484 -15.677 2.036 {o ser 90}20.411 -16.503 1.098 {c ser 90}P 20.484 -15.677 2.036 {n leu 91}21.590 -15.507 2.749 {ca leu 91}22.812 -16.267 2.418 {ca asp 92}24.229 -19.760 2.945 {ca ala 93}26.549 -20.464 5.973 {ca val 94}29.892 -19.850 4.232 {ca arg 95}28.779 -16.616 2.562 {ca arg 96}27.413 -15.381 5.884 {ca cys 97}30.997 -15.587 7.183 {ca ala 98}32.218 -13.374 4.313 {ca leu 99}29.722 -10.630 5.241 {ca ile 100}30.665 -10.852 8.888 {ca asn 101}34.386 -10.430 7.882 {ca met 102}33.538 -7.211 5.935 {ca val 103}31.545 -5.793 8.895 {ca phe 104}34.339 -6.593 11.314 {ca gln 105}36.891 -4.773 9.142 {ca met 106}34.921 -1.812 8.007 {ca gly 107}31.921 -1.352 10.299 {ca glu 108}28.170 -1.714 9.689 {ca thr 109}27.902 1.669 8.136 {ca gly 110}30.724 1.090 5.739 {ca val 111}29.349 -2.210 4.431 {ca ala 112}25.769 -0.850 4.322 {ca gly 113}27.189 1.671 1.840 {ca phe 114}27.871 -1.107 -0.752 {ca thr 115}24.312 -0.809 -2.042 {ca asn 116}24.705 -2.373 -5.452 {ca ser 117}26.859 -5.314 -4.310 {ca leu 118}24.388 -6.078 -1.488 {ca arg 119}21.540 -6.185 -4.036 {ca met 120}23.481 -8.576 -6.265 {ca leu 121}24.393 -10.882 -3.391 {ca gln 122}20.742 -10.967 -2.343 {ca gln 123}19.858 -11.961 -5.853 {ca lys 124}22.544 -14.626 -5.808 {ca arg 125}24.383 -13.180 -8.839 {ca trp 126}27.799 -14.362 -7.627 {ca asp 127}30.031 -13.374 -10.466 {ca glu 128}28.456 -10.008 -10.817 {ca ala 129}28.730 -9.212 -7.182 {ca ala 130}32.460 -10.199 -7.135 {ca val 131}33.248 -7.834 -9.968 {ca asn 132}31.278 -4.964 -8.284 {ca leu 133}32.887 -5.486 -4.866 {ca ala 134}36.383 -5.104 -6.463 {ca lys 135}35.526 -1.545 -7.562 {ca ser 136}36.096 -0.048 -4.158 {ca arg 137}38.736 1.699 -2.096 {ca trp 138}38.607 -1.453 0.169 {ca tyr 139}39.873 -3.673 -2.684 {ca asn 140}42.575 -1.195 -3.781 {ca gln 141}43.850 -0.664 -0.247 {c gln 141}44.363 -1.976 0.370 {o gln 141}45.501 -2.043 0.884 {c gln 141}P 44.363 -1.976 0.370 {n thr 142}43.521 -3.037 0.419 {ca thr 142}43.933 -4.330 1.010 {c thr 142}43.522 -5.403 0.057 {o thr 142}42.627 -6.177 0.354 {c thr 142}P 43.522 -5.403 0.057 {n pro 143}44.140 -5.432 -1.130 {ca pro 143}43.754 -6.382 -2.183 {c pro 143}43.840 -7.894 -1.848 {o pro 143}42.964 -8.652 -2.245 {c pro 143}P 43.840 -7.894 -1.848 {n asn 144}44.864 -8.366 -1.123 {ca asn 144}44.950 -9.791 -0.830 {c asn 144}43.798 -10.277 0.069 {o asn 144}43.209 -11.320 -0.174 {c asn 144}P 43.798 -10.277 0.069 {n arg 145}43.523 -9.505 1.108 {ca arg 145}42.428 -9.810 2.003 {c arg 145}41.073 -9.664 1.240 {o arg 145}40.167 -10.534 1.329 {c arg 145}P 41.073 -9.664 1.240 {n ala 146}40.882 -8.541 0.498 {ca ala 146}39.645 -8.362 -0.235 {c ala 146}39.424 -9.558 -1.199 {o ala 146}38.340 -10.108 -1.334 {c ala 146}P 39.424 -9.558 -1.199 {n lys 147}40.458 -9.976 -1.905 {ca lys 147}40.332 -11.084 -2.846 {c lys 147}39.882 -12.356 -2.165 {o lys 147}39.125 -13.119 -2.749 {c lys 147}P 39.882 -12.356 -2.165 {n arg 148}40.410 -12.619 -0.970 {ca arg 148}40.017 -13.801 -0.224 {c arg 148}38.514 -13.749 0.081 {o arg 148}37.766 -14.738 -0.099 {c arg 148}P 38.514 -13.749 0.081 {n val 149}38.064 -12.577 0.566 {ca val 149}36.625 -12.399 0.926 {c val 149}35.721 -12.513 -0.321 {o val 149}34.662 -13.179 -0.352 {c val 149}P 35.721 -12.513 -0.321 {n ile 150}36.187 -11.858 -1.368 {ca ile 150}35.509 -11.879 -2.642 {c ile 150}35.342 -13.298 -3.188 {o ile 150}34.274 -13.690 -3.650 {c ile 150}P 35.342 -13.298 -3.188 {n thr 151}36.402 -14.089 -3.141 {ca thr 151}36.348 -15.478 -3.625 {c thr 151}35.362 -16.288 -2.856 {o thr 151}34.708 -17.154 -3.407 {c thr 151}P 35.362 -16.288 -2.856 {n thr 152}35.281 -16.002 -1.551 {ca thr 152}34.362 -16.650 -0.640 {c thr 152}32.902 -16.376 -1.059 {o thr 152}32.053 -17.290 -1.139 {c thr 152}P 32.902 -16.376 -1.059 {n phe 153}32.615 -15.127 -1.417 {ca phe 153}31.273 -14.795 -1.852 {c phe 153}31.014 -15.393 -3.201 {o phe 153}29.890 -15.818 -3.562 {c phe 153}P 31.014 -15.393 -3.201 {n arg 154}32.052 -15.380 -4.000 {ca arg 154}31.897 -15.913 -5.338 {c arg 154}31.610 -17.421 -5.380 {o arg 154}30.736 -17.860 -6.094 {c arg 154}P 31.610 -17.421 -5.380 {n thr 155}32.370 -18.223 -4.624 {ca thr 155}32.285 -19.655 -4.644 {c thr 155}31.464 -20.303 -3.569 {o thr 155}31.055 -21.434 -3.698 {c thr 155}P 31.464 -20.303 -3.569 {n gly 156}31.317 -19.661 -2.456 {ca gly 156}30.591 -20.276 -1.406 {ca thr 157}33.570 -22.455 -0.329 {ca trp 158}36.614 -21.931 1.898 {ca asp 159}39.131 -22.426 -0.836 {ca ala 160}40.764 -18.969 -0.472 {ca tyr 161}41.745 -19.826 3.036 {ca lys 162}42.739 -23.519 2.699 {ca asn 163}45.908 -22.467 1.444 {ca leu 164}46.721 -20.175 4.378 @vectorlist {Hb} color= brown master= {Hbonds} {ala 42 hn} <2.171>P U 46.309 6.443 22.559 {ser 38 o}U 46.867 7.448 21.565 {lys 43 hn} <2.008>P U 47.195 4.960 24.570 {leu 39 o}U 48.322 5.497 23.925 {ser 44 hn} <2.133>P U 45.339 5.384 26.308 {asn 40 o}U 46.154 6.596 26.000 {glu 45 hn} <2.188>P U 43.035 4.432 25.387 {ala 41 o}U 43.465 5.644 24.555 {leu 46 hn} <2.021>P U 43.613 1.880 25.447 {ala 42 o}U 44.558 2.493 24.591 {asp 47 hn} <2.141>P U 43.854 1.231 28.223 {lys 43 o}U 44.979 2.144 27.839 {lys 48 hn} <2.161>P U 41.276 1.577 28.868 {ser 44 o}U 41.810 2.913 28.401 {ala 49 hn} <1.931>P U 40.035 -0.344 27.497 {glu 45 o}U 40.502 0.592 26.640 {ile 50 hn} <2.088>P U 40.881 -2.567 28.836 {leu 46 o}U 41.914 -1.837 28.104 {gly 51 hn} <1.877>P U 40.519 -2.482 31.086 {asp 47 o}U 41.038 -1.277 31.021 {ala 146 hn} <1.949>P U 41.543 -7.796 0.407 {thr 142 o}U 42.302 -6.663 0.370 {lys 147 hn} <1.882>P U 41.374 -9.578 -1.850 {pro 143 o}U 42.487 -8.930 -2.126 {arg 148 hn} <2.265>P U 41.090 -12.044 -0.515 {asn 144 o}U 42.573 -11.537 -0.276 {val 149 hn} <2.062>P U 38.636 -11.771 0.715 {arg 145 o}U 39.708 -10.905 1.145 {ile 150 hn} <1.783>P U 37.025 -11.312 -1.356 {ala 146 o}U 37.945 -10.469 -1.341 {thr 151 hn} <1.958>P U 37.293 -13.809 -2.783 {lys 147 o}U 38.575 -13.326 -2.759 {thr 152 hn} <2.236>P U 35.856 -15.313 -1.110 {arg 148 o}U 37.193 -14.910 -0.402 {phe 153 hn} <2.119>P U 33.264 -14.366 -1.414 {val 149 o}U 34.243 -13.535 -0.671 {arg 154 hn} <1.881>P U 32.960 -15.030 -3.770 {ile 150 o}U 33.880 -14.092 -3.686 {thr 155 hn} <1.892>P U 33.057 -17.875 -3.986 {thr 151 o}U 34.213 -17.370 -3.581 {gly 156 hn} <1.878>P U 31.676 -18.748 -2.261 {thr 152 o}U 31.940 -17.727 -1.476 @subgroup {sidechain} @vectorlist {sc Hb} color= purple {n asn 40}P U 48.679 8.579 23.324 {og ser 38}U 48.143 9.886 22.879 {"}P U 47.510 10.004 22.980 {n ala 41}U 46.659 8.885 23.675 @balllist {O} color= red radius= 0.150 {og ser 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37.627 -9.378 21.613 {n phe 67}38.308 -10.398 21.039 {ca phe 67}37.914 -10.967 19.788 {c phe 67}36.480 -11.539 19.889 {o phe 67}35.640 -11.299 19.025 {c phe 67}P 36.480 -11.539 19.889 {n asn 68}36.189 -12.291 20.957 {ca asn 68}34.845 -12.835 21.121 {c asn 68}33.801 -11.708 21.150 {o asn 68}32.710 -11.740 20.525 {c asn 68}P 33.801 -11.708 21.150 {n gln 69}34.135 -10.656 21.888 {ca gln 69}33.200 -9.531 21.933 {c gln 69}32.970 -8.892 20.597 {o gln 69}31.845 -8.519 20.312 {c gln 69}P 32.970 -8.892 20.597 {n asp 70}34.060 -8.693 19.834 {ca asp 70}33.969 -8.041 18.558 {c asp 70}33.164 -8.791 17.517 {o asp 70}32.426 -8.177 16.698 {c asp 70}P 33.164 -8.791 17.517 {n val 71}33.326 -10.134 17.530 {ca val 71}32.612 -11.012 16.562 {c val 71}31.095 -10.970 16.882 {o val 71}30.252 -10.765 16.002 {c val 71}P 31.095 -10.970 16.882 {n asp 72}30.799 -11.109 18.190 {ca asp 72}29.455 -11.045 18.706 {c asp 72}28.763 -9.731 18.328 {o asp 72}27.639 -9.685 17.778 {c asp 72}P 28.763 -9.731 18.328 {n ala 73}29.459 -8.636 18.597 {ca ala 73}28.941 -7.320 18.265 {c ala 73}28.758 -7.166 16.734 {o ala 73}27.792 -6.526 16.275 {c ala 73}P 28.758 -7.166 16.734 {n ala 74}29.675 -7.768 15.932 {ca ala 74}29.528 -7.679 14.457 {c ala 74}28.228 -8.390 14.018 {o ala 74}27.422 -7.857 13.259 {c ala 74}P 28.228 -8.390 14.018 {n val 75}28.041 -9.626 14.504 {ca val 75}26.836 -10.385 14.173 {c val 75}25.520 -9.645 14.538 {o val 75}24.611 -9.512 13.694 {c val 75}P 25.520 -9.645 14.538 {n arg 76}25.462 -9.155 15.800 {ca arg 76}24.328 -8.418 16.373 {c arg 76}24.102 -7.132 15.592 {o arg 76}22.992 -6.720 15.293 {c arg 76}P 24.102 -7.132 15.592 {n gly 77}25.186 -6.523 15.176 {ca gly 77}25.062 -5.343 14.378 {c gly 77}24.362 -5.623 13.040 {o gly 77}23.513 -4.862 12.586 {c gly 77}P 24.362 -5.623 13.040 {n ile 78}24.748 -6.718 12.381 {ca ile 78}24.143 -7.090 11.108 {c ile 78}22.651 -7.332 11.309 {o ile 78}21.803 -6.897 10.527 {c ile 78}P 22.651 -7.332 11.309 {n leu 79}22.347 -8.059 12.378 {ca leu 79}20.978 -8.436 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lys 85}P 19.164 -9.087 6.784 {n pro 86}18.478 -8.455 5.851 {ca pro 86}17.857 -9.186 4.774 {c pro 86}18.886 -9.896 3.938 {o pro 86}18.662 -10.988 3.468 {c pro 86}P 18.886 -9.896 3.938 {n val 87}20.046 -9.276 3.737 {ca val 87}21.089 -9.949 2.946 {c val 87}21.612 -11.186 3.662 {o val 87}21.741 -12.269 3.109 {c val 87}P 21.612 -11.186 3.662 {n tyr 88}21.951 -10.981 4.923 {ca tyr 88}22.456 -12.040 5.784 {c tyr 88}21.476 -13.211 5.799 {o tyr 88}21.844 -14.391 5.613 {c tyr 88}P 21.476 -13.211 5.799 {n asp 89}20.204 -12.875 6.004 {ca asp 89}19.193 -13.943 6.031 {c asp 89}19.115 -14.728 4.736 {o asp 89}18.812 -15.913 4.755 {c asp 89}P 19.115 -14.728 4.736 {n ser 90}19.380 -14.071 3.609 {ca ser 90}19.286 -14.757 2.356 {c ser 90}20.457 -15.647 2.059 {o ser 90}20.397 -16.479 1.150 {c ser 90}P 20.457 -15.647 2.059 {n leu 91}21.565 -15.448 2.766 {ca leu 91}22.803 -16.202 2.421 {ca asp 92}24.158 -19.724 2.976 {ca ala 93}26.491 -20.406 5.972 {ca val 94}29.855 -19.796 4.300 {ca arg 95}28.775 -16.595 2.562 {ca arg 96}27.340 -15.356 5.833 {ca cys 97}30.951 -15.576 7.157 {ca ala 98}32.162 -13.361 4.294 {ca leu 99}29.664 -10.598 5.254 {ca ile 100}30.608 -10.811 8.893 {ca asn 101}34.282 -10.424 7.906 {ca met 102}33.497 -7.188 5.976 {ca val 103}31.513 -5.779 8.908 {ca phe 104}34.288 -6.594 11.373 {ca gln 105}36.817 -4.759 9.133 {ca met 106}34.805 -1.821 7.993 {ca gly 107}31.863 -1.362 10.369 {ca glu 108}28.129 -1.718 9.637 {ca thr 109}27.855 1.667 8.147 {ca gly 110}30.629 1.107 5.691 {ca val 111}29.266 -2.190 4.454 {ca ala 112}25.709 -0.834 4.273 {ca gly 113}27.208 1.677 1.833 {ca phe 114}27.832 -1.121 -0.743 {ca thr 115}24.249 -0.831 -2.042 {ca asn 116}24.679 -2.391 -5.464 {ca ser 117}26.819 -5.298 -4.302 {ca leu 118}24.374 -6.084 -1.459 {ca arg 119}21.535 -6.191 -4.023 {ca met 120}23.507 -8.593 -6.230 {ca leu 121}24.360 -10.869 -3.299 {ca gln 122}20.684 -10.937 -2.353 {ca gln 123}19.866 -11.943 -5.862 {ca lys 124}22.525 -14.620 -5.809 {ca arg 125}24.376 -13.157 -8.785 {ca trp 126}27.794 -14.312 -7.553 {ca asp 127}29.977 -13.351 -10.490 {ca glu 128}28.413 -9.951 -10.853 {ca ala 129}28.696 -9.164 -7.218 {ca ala 130}32.427 -10.142 -7.076 {ca val 131}33.143 -7.810 -9.963 {ca asn 132}31.232 -4.935 -8.265 {ca leu 133}32.829 -5.484 -4.837 {ca ala 134}36.329 -5.102 -6.470 {ca lys 135}35.481 -1.531 -7.546 {ca ser 136}36.076 -0.069 -4.145 {ca arg 137}38.698 1.681 -2.086 {ca trp 138}38.542 -1.448 0.195 {ca tyr 139}39.835 -3.671 -2.637 {ca asn 140}42.498 -1.196 -3.745 {ca gln 141}43.838 -0.668 -0.210 {c gln 141}44.324 -2.003 0.399 {o gln 141}45.459 -2.094 0.902 {c gln 141}P 44.324 -2.003 0.399 {n thr 142}43.461 -3.031 0.457 {ca thr 142}43.862 -4.333 1.027 {c thr 142}43.447 -5.385 0.059 {o thr 142}42.519 -6.125 0.333 {c thr 142}P 43.447 -5.385 0.059 {n pro 143}44.113 -5.407 -1.105 {ca pro 143}43.720 -6.335 -2.157 {c pro 143}43.790 -7.835 -1.811 {o pro 143}42.911 -8.590 -2.186 {c pro 143}P 43.790 -7.835 -1.811 {n asn 144}44.811 -8.312 -1.089 {ca asn 144}44.864 -9.759 -0.818 {c asn 144}43.728 -10.250 0.078 {o asn 144}43.122 -11.292 -0.161 {c asn 144}P 43.728 -10.250 0.078 {n arg 145}43.459 -9.479 1.137 {ca arg 145}42.368 -9.822 2.002 {c arg 145}41.009 -9.681 1.245 {o arg 145}40.106 -10.550 1.336 {c arg 145}P 41.009 -9.681 1.245 {n ala 146}40.820 -8.550 0.521 {ca ala 146}39.588 -8.358 -0.228 {c ala 146}39.359 -9.532 -1.192 {o ala 146}38.264 -10.046 -1.308 {c ala 146}P 39.359 -9.532 -1.192 {n lys 147}40.398 -9.962 -1.903 {ca lys 147}40.289 -11.076 -2.836 {c lys 147}39.835 -12.341 -2.136 {o lys 147}39.052 -13.119 -2.663 {c lys 147}P 39.835 -12.341 -2.136 {n arg 148}40.384 -12.580 -0.962 {ca arg 148}39.978 -13.767 -0.231 {c arg 148}38.472 -13.712 0.054 {o arg 148}37.734 -14.698 -0.139 {c arg 148}P 38.472 -13.712 0.054 {n val 149}38.011 -12.537 0.523 {ca val 149}36.583 -12.395 0.874 {c val 149}35.676 -12.497 -0.326 {o val 149}34.618 -13.134 -0.321 {c val 149}P 35.676 -12.497 -0.326 {n ile 150}36.115 -11.844 -1.372 {ca ile 150}35.410 -11.859 -2.641 {c ile 150}35.284 -13.279 -3.191 {o ile 150}34.244 -13.636 -3.686 {c ile 150}P 35.284 -13.279 -3.191 {n thr 151}36.349 -14.081 -3.115 {ca thr 151}36.311 -15.471 -3.595 {c thr 151}35.327 -16.279 -2.802 {o thr 151}34.680 -17.154 -3.345 {c thr 151}P 35.327 -16.279 -2.802 {n thr 152}35.252 -15.960 -1.518 {ca thr 152}34.327 -16.618 -0.619 {c thr 152}32.869 -16.328 -1.049 {o thr 152}32.009 -17.227 -1.075 {c thr 152}P 32.869 -16.328 -1.049 {n phe 153}32.586 -15.079 -1.442 {ca phe 153}31.241 -14.753 -1.869 {c phe 153}30.946 -15.366 -3.224 {o phe 153}29.811 -15.777 -3.543 {c phe 153}P 30.946 -15.366 -3.224 {n arg 154}31.971 -15.370 -4.057 {ca arg 154}31.839 -15.932 -5.396 {c arg 154}31.552 -17.434 -5.415 {o arg 154}30.683 -17.891 -6.151 {c arg 154}P 31.552 -17.434 -5.415 {n thr 155}32.317 -18.206 -4.634 {ca thr 155}32.221 -19.651 -4.655 {c thr 155}31.405 -20.285 -3.563 {o thr 155}30.973 -21.407 -3.674 {c thr 155}P 31.405 -20.285 -3.563 {n gly 156}31.262 -19.621 -2.474 {ca gly 156}30.549 -20.213 -1.397 {ca thr 157}33.504 -22.396 -0.269 {ca trp 158}36.556 -21.886 1.919 {ca asp 159}39.038 -22.382 -0.868 {ca ala 160}40.708 -18.965 -0.464 {ca tyr 161}41.620 -19.823 3.051 {ca lys 162}42.657 -23.486 2.647 {ca asn 163}45.884 -22.374 1.422 {ca leu 164}46.737 -20.136 4.397 @vectorlist {Hb} color= brown master= {Hbonds} {ala 41 hn} <2.125>P U 46.684 8.993 23.356 {asp 38 o}U 46.933 8.376 22.026 {ala 42 hn} <2.138>P U 46.192 6.514 22.597 {asp 38 o}U 46.786 7.632 21.798 {lys 43 hn} <2.034>P U 47.053 4.915 24.520 {leu 39 o}U 48.218 5.483 23.931 {ser 44 hn} <2.169>P U 45.333 5.296 26.370 {asn 40 o}U 46.060 6.581 26.014 {glu 45 hn} <2.161>P U 42.971 4.467 25.508 {ala 41 o}U 43.405 5.644 24.662 {leu 46 hn} <1.993>P U 43.478 1.924 25.457 {ala 42 o}U 44.434 2.476 24.604 {asp 47 hn} <2.093>P U 43.795 1.179 28.137 {lys 43 o}U 44.892 2.112 27.867 {lys 48 hn} <2.114>P U 41.263 1.523 28.909 {ser 44 o}U 41.738 2.843 28.439 {ala 49 hn} <1.908>P U 40.035 -0.332 27.601 {glu 45 o}U 40.452 0.591 26.730 {ile 50 hn} <2.039>P U 40.803 -2.558 28.825 {leu 46 o}U 41.815 -1.828 28.132 {gly 51 hn} <1.909>P U 40.383 -2.550 31.056 {asp 47 o}U 40.936 -1.333 31.051 @subgroup {sidechain} @vectorlist {sc Hb} color= purple {od1 asp 38}P U 47.431 10.303 23.790 {n ala 41}U 46.595 8.993 23.948 @balllist {O} color= red radius= 0.150 {od1 asp 38}47.805 10.890 23.719 {od2 asp 38}49.489 11.073 22.280 {od1 asn 144} L 48.509, -9.747, -0.876 @balllist {N} color= sky radius= 0.150 {nd2 asn 144} L 47.077, -10.160, -2.541 @labellist {G} color= pink { G} <77> 25.062 -5.343 14.378 @vectorlist {mut sc} color= pink {ca ala 82} P 17.787, -2.845, 8.111 {cb ala 82} L 16.754, -1.723, 8.053 {ca asn 144} P 44.864, -9.759, -0.818 {cb asn 144} L 46.221, -10.173, -0.227 {cg asn 144} L 47.370, -10.009, -1.251 {od1 asn 144} L 48.509, -9.747, -0.876 {cg asn 144} P 47.370, -10.009, -1.251 {nd2 asn 144} L 47.077, -10.160, -2.541 @vectorlist {mut sc} color= hotpink {ca asp 38}P 47.885 10.052 20.373 {cb asp 38}47.345 11.118 21.377 {cg asp 38}48.211 11.070 22.588 {od1 asp 38}47.805 10.890 23.719 {cg asp 38}P 48.211 11.070 22.588 {od2 asp 38}49.489 11.073 22.280 @vectorlist {sc} color= cyan master= {nearby sc} {ca ser 36}P 43.392 9.294 17.364 {cb ser 36}42.996 9.785 18.741 {og ser 36}44.157 10.136 19.484 {ca pro 37}P 47.056 10.005 16.700 {cb pro 37}47.453 11.261 15.952 {cg pro 37}46.189 12.046 15.647 {cd pro 37}45.035 11.288 16.246 {n pro 37}P 45.620 10.086 16.890 {cd pro 37}45.035 11.288 16.246 {ca leu 39}P 49.542 6.809 21.657 {cb leu 39}51.060 6.451 21.667 {cg leu 39}51.435 5.181 22.454 {cd1 leu 39}50.864 3.953 21.753 {cg leu 39}P 51.435 5.181 22.454 {cd2 leu 39}52.951 5.033 22.554 {ca asn 40}P 48.402 8.016 24.960 {cb asn 40}48.832 9.273 25.724 {cg asn 40}50.265 9.160 26.174 {od1 asn 40}50.678 8.158 26.809 {cg asn 40}P 50.265 9.160 26.174 {nd2 asn 40}51.039 10.165 25.792 {ca ala 41}P 44.797 8.191 23.935 {cb ala 41}44.121 9.010 22.870 {ca ala 42}P 45.346 4.549 22.748 {cb ala 42}46.402 4.076 21.728 {ca lys 43}P 46.803 3.361 26.004 {cb lys 43}48.114 3.781 26.636 {cg lys 43}49.320 3.136 25.953 {cd lys 43}50.507 4.068 26.009 {ce lys 43}51.723 3.461 26.684 {nz lys 43}52.936 3.652 25.872 @group {T4 N144D} dominant animate @vectorlist {mc} color= yellowtint {ca met 1}P 36.914 -23.552 9.047 {ca asn 2}34.756 -21.063 10.938 {ca ile 3}34.447 -17.295 11.377 {ca phe 4}37.069 -17.140 14.104 {ca glu 5}39.720 -19.018 12.219 {ca met 6}38.937 -16.955 9.136 {ca leu 7}39.349 -13.625 10.875 {ca arg 8}42.371 -14.865 12.714 {ca ile 9}44.027 -15.470 9.364 {ca asp 10}43.116 -12.036 7.985 {ca glu 11}43.895 -9.899 11.021 {ca gly 12}46.793 -11.701 12.675 {ca leu 13}47.481 -11.571 16.456 {ca arg 14}49.587 -8.908 18.155 {ca leu 15}50.016 -8.493 21.936 {ca lys 16}51.494 -4.992 21.878 {ca ile 17}49.764 -1.765 20.609 {ca tyr 18}50.269 -1.461 16.890 {ca lys 19}49.162 0.601 13.900 {ca asp 20}46.773 -0.883 11.403 {ca thr 21}46.941 -0.606 7.623 {ca glu 22}45.204 2.779 7.957 {ca gly 23}47.608 3.979 10.572 {ca tyr 24}45.349 3.479 13.601 {ca tyr 25}46.163 2.226 17.008 {ca thr 26}45.018 -1.409 17.345 {ca ile 27}45.810 -4.434 19.462 {ca gly 28}45.103 -8.159 19.541 {ca ile 29}43.081 -9.604 16.660 {ca gly 30}42.187 -6.454 14.746 {ca his 31}40.636 -4.645 17.740 {ca leu 32}40.686 -0.951 16.800 {ca leu 33}41.438 1.215 19.852 {ca thr 34}41.169 4.793 18.584 {ca lys 35}41.444 6.774 15.393 {c lys 35}42.374 7.938 15.692 {o lys 35}43.003 8.476 14.808 {c lys 35}P 42.374 7.938 15.692 {n ser 36}42.473 8.288 16.962 {ca ser 36}43.312 9.373 17.423 {c ser 36}44.824 9.143 17.286 {o ser 36}45.388 8.061 17.545 {c ser 36}P 44.824 9.143 17.286 {n pro 37}45.504 10.224 16.908 {ca pro 37}46.927 10.190 16.727 {c pro 37}47.698 9.921 18.018 {o pro 37}48.828 9.444 17.987 {c pro 37}P 47.698 9.921 18.018 {n ser 38}47.101 10.167 19.168 {ca ser 38}47.861 9.965 20.394 {c ser 38}48.002 8.542 20.930 {o ser 38}47.009 7.922 21.317 {c ser 38}P 48.002 8.542 20.930 {n leu 39}49.260 8.080 21.054 {ca leu 39}49.571 6.779 21.635 {c leu 39}49.064 6.761 23.076 {o leu 39}48.856 5.720 23.720 {c leu 39}P 49.064 6.761 23.076 {n asn 40}48.888 7.960 23.594 {ca asn 40}48.406 8.094 24.949 {c asn 40}46.916 7.877 25.013 {o asn 40}46.435 7.159 25.894 {c asn 40}P 46.916 7.877 25.013 {n ala 41}46.204 8.482 24.062 {ca ala 41}44.773 8.244 23.968 {c ala 41}44.546 6.718 23.874 {o ala 41}43.620 6.164 24.493 {c ala 41}P 44.546 6.718 23.874 {n ala 42}45.446 6.046 23.120 {ca ala 42}45.435 4.598 22.882 {c ala 42}45.616 3.761 24.107 {o ala 42}44.926 2.751 24.327 {c ala 42}P 45.616 3.761 24.107 {n lys 43}46.603 4.122 24.877 {ca lys 43}46.857 3.340 26.086 {c lys 43}45.718 3.451 27.093 {o lys 43}45.451 2.505 27.833 {c lys 43}P 45.718 3.451 27.093 {n ser 44}45.056 4.609 27.081 {ca ser 44}43.915 4.885 27.929 {c ser 44}42.678 4.048 27.528 {o ser 44}41.936 3.503 28.367 {c ser 44}P 42.678 4.048 27.528 {n glu 45}42.472 3.951 26.221 {ca glu 45}41.380 3.177 25.672 {c glu 45}41.622 1.715 25.957 {o glu 45}40.735 0.958 26.323 {c glu 45}P 41.622 1.715 25.957 {n leu 46}42.859 1.325 25.820 {ca leu 46}43.195 -0.047 26.097 {c leu 46}42.896 -0.466 27.529 {o leu 46}42.317 -1.527 27.823 {c leu 46}P 42.896 -0.466 27.529 {n asp 47}43.335 0.365 28.445 {ca asp 47}43.138 0.063 29.872 {c asp 47}41.660 0.014 30.270 {o asp 47}41.267 -0.777 31.141 {c asp 47}P 41.660 0.014 30.270 {n lys 48}40.883 0.896 29.619 {ca lys 48}39.428 0.974 29.780 {c lys 48}38.798 -0.325 29.222 {o lys 48}37.867 -0.924 29.787 {c lys 48}P 38.798 -0.325 29.222 {n ala 49}39.334 -0.795 28.117 {ca ala 49}38.836 -1.993 27.520 {c ala 49}39.150 -3.268 28.287 {o ala 49}38.308 -4.173 28.364 {c ala 49}P 39.150 -3.268 28.287 {n ile 50}40.341 -3.349 28.848 {ca ile 50}40.772 -4.536 29.594 {c ile 50}40.410 -4.472 31.100 {o ile 50}40.158 -5.497 31.760 {c ile 50}P 40.410 -4.472 31.100 {n gly 51}40.338 -3.261 31.650 {ca gly 51}39.970 -3.152 33.048 {ca arg 52}43.589 -3.029 34.070 {ca asn 53}46.758 -1.001 33.586 {ca cys 54}48.239 -2.665 30.677 {ca asn 55}50.834 -0.232 29.745 {ca gly 56}50.274 -1.084 26.015 {ca val 57}50.552 -4.834 26.294 {ca ile 58}48.042 -7.652 26.817 {ca thr 59}47.957 -11.432 27.163 {c thr 59}47.064 -12.019 26.056 {o thr 59}46.111 -11.396 25.576 {c thr 59}P 47.064 -12.019 26.056 {n lys 60}47.370 -13.262 25.690 {ca lys 60}46.645 -14.023 24.688 {c lys 60}45.157 -14.097 25.031 {o lys 60}44.276 -13.826 24.204 {c lys 60}P 45.157 -14.097 25.031 {n asp 61}44.909 -14.473 26.274 {ca asp 61}43.589 -14.570 26.820 {c asp 61}42.791 -13.306 26.664 {o asp 61}41.619 -13.373 26.319 {c asp 61}P 42.791 -13.306 26.664 {n glu 62}43.440 -12.165 26.951 {ca glu 62}42.812 -10.850 26.848 {c glu 62}42.479 -10.553 25.406 {o glu 62}41.412 -10.012 25.095 {c glu 62}P 42.479 -10.553 25.406 {n ala 63}43.398 -10.963 24.521 {ca ala 63}43.190 -10.754 23.101 {c ala 63}42.007 -11.538 22.606 {o ala 63}41.239 -11.043 21.763 {c ala 63}P 42.007 -11.538 22.606 {n glu 64}41.906 -12.762 23.113 {ca glu 64}40.844 -13.601 22.722 {c glu 64}39.546 -13.142 23.284 {o glu 64}38.491 -13.310 22.671 {c glu 64}P 39.546 -13.142 23.284 {n lys 65}39.596 -12.574 24.443 {ca lys 65}38.365 -12.085 25.017 {c lys 65}37.799 -10.928 24.206 {o lys 65}36.598 -10.916 23.854 {c lys 65}P 37.799 -10.928 24.206 {n leu 66}38.681 -9.969 23.844 {ca leu 66}38.257 -8.862 22.997 {c leu 66}37.735 -9.382 21.651 {o leu 66}36.761 -8.865 21.110 {c leu 66}P 37.735 -9.382 21.651 {n phe 67}38.392 -10.442 21.109 {ca phe 67}38.001 -10.989 19.853 {c phe 67}36.589 -11.552 19.961 {o phe 67}35.722 -11.293 19.101 {c phe 67}P 36.589 -11.552 19.961 {n asn 68}36.316 -12.384 20.999 {ca asn 68}34.959 -12.910 21.086 {c asn 68}33.920 -11.759 21.172 {o asn 68}32.794 -11.769 20.602 {c asn 68}P 33.920 -11.759 21.172 {n gln 69}34.267 -10.707 21.910 {ca gln 69}33.271 -9.610 21.966 {c gln 69}33.047 -8.960 20.641 {o gln 69}31.949 -8.508 20.385 {c gln 69}P 33.047 -8.960 20.641 {n asp 70}34.123 -8.813 19.866 {ca asp 70}34.010 -8.130 18.590 {c asp 70}33.231 -8.882 17.541 {o asp 70}32.511 -8.244 16.740 {c asp 70}P 33.231 -8.882 17.541 {n val 71}33.353 -10.234 17.516 {ca val 71}32.650 -11.049 16.526 {c val 71}31.142 -10.982 16.895 {o val 71}30.215 -10.850 16.043 {c val 71}P 31.142 -10.982 16.895 {n asp 72}30.898 -11.121 18.216 {ca asp 72}29.529 -11.068 18.722 {c asp 72}28.859 -9.758 18.335 {o asp 72}27.707 -9.696 17.810 {c asp 72}P 28.859 -9.758 18.335 {n ala 73}29.563 -8.659 18.585 {ca ala 73}28.975 -7.366 18.254 {c ala 73}28.781 -7.228 16.734 {o ala 73}27.812 -6.593 16.254 {c ala 73}P 28.781 -7.228 16.734 {n ala 74}29.725 -7.810 15.960 {ca ala 74}29.602 -7.731 14.468 {c ala 74}28.297 -8.443 14.026 {o ala 74}27.466 -7.890 13.291 {c ala 74}P 28.297 -8.443 14.026 {n val 75}28.105 -9.684 14.512 {ca val 75}26.896 -10.418 14.173 {c val 75}25.579 -9.667 14.530 {o val 75}24.685 -9.513 13.682 {c val 75}P 25.579 -9.667 14.530 {n arg 76}25.478 -9.226 15.814 {ca arg 76}24.322 -8.479 16.357 {c arg 76}24.127 -7.187 15.556 {o arg 76}23.019 -6.779 15.244 {c arg 76}P 24.127 -7.187 15.556 {n gly 77}25.231 -6.571 15.134 {ca gly 77}25.136 -5.385 14.311 {c gly 77}24.385 -5.683 13.011 {o gly 77}23.489 -4.934 12.580 {c gly 77}P 24.385 -5.683 13.011 {n ile 78}24.784 -6.768 12.347 {ca ile 78}24.137 -7.160 11.102 {c ile 78}22.640 -7.393 11.284 {o ile 78}21.826 -6.971 10.461 {c ile 78}P 22.640 -7.393 11.284 {n leu 79}22.294 -8.116 12.357 {ca leu 79}20.930 -8.506 12.649 {c leu 79}20.010 -7.377 13.011 {o leu 79}18.803 -7.539 12.894 {c leu 79}P 20.010 -7.377 13.011 {n arg 80}20.596 -6.252 13.430 {ca arg 80}19.874 -5.039 13.817 {c arg 80}19.838 -4.078 12.681 {o arg 80}19.179 -3.053 12.731 {c arg 80}P 19.838 -4.078 12.681 {n asn 81}20.632 -4.353 11.686 {ca asn 81}20.684 -3.423 10.614 {c asn 81}19.662 -3.722 9.538 {o asn 81}19.575 -4.817 9.018 {c asn 81}P 19.662 -3.722 9.538 {n ala 82}18.875 -2.734 9.173 {ca ala 82}17.846 -2.990 8.177 {c ala 82}18.350 -3.235 6.773 {o ala 82}17.644 -3.840 6.000 {c ala 82}P 18.350 -3.235 6.773 {n lys 83}19.535 -2.775 6.405 {ca lys 83}19.969 -3.045 5.056 {c lys 83}20.688 -4.379 4.984 {o lys 83}20.745 -5.047 3.937 {c lys 83}P 20.688 -4.379 4.984 {n leu 84}21.312 -4.724 6.113 {ca leu 84}22.159 -5.905 6.206 {c leu 84}21.460 -7.251 6.472 {o leu 84}21.820 -8.289 5.903 {c leu 84}P 21.460 -7.251 6.472 {n lys 85}20.511 -7.243 7.392 {ca lys 85}19.792 -8.437 7.809 {c lys 85}19.146 -9.271 6.709 {o lys 85}19.260 -10.498 6.687 {c lys 85}P 19.146 -9.271 6.709 {n pro 86}18.436 -8.621 5.811 {ca pro 86}17.799 -9.320 4.729 {c pro 86}18.832 -10.047 3.892 {o pro 86}18.598 -11.142 3.394 {c pro 86}P 18.832 -10.047 3.892 {n val 87}19.995 -9.432 3.706 {ca val 87}21.037 -10.099 2.890 {c val 87}21.634 -11.297 3.624 {o val 87}21.823 -12.406 3.084 {c val 87}P 21.634 -11.297 3.624 {n tyr 88}21.962 -11.053 4.891 {ca tyr 88}22.483 -12.089 5.749 {c tyr 88}21.533 -13.281 5.721 {o tyr 88}21.910 -14.443 5.451 {c tyr 88}P 21.533 -13.281 5.721 {n asp 89}20.264 -12.990 5.978 {ca asp 89}19.268 -14.054 5.979 {c asp 89}19.204 -14.819 4.664 {o asp 89}18.943 -16.021 4.669 {c asp 89}P 19.204 -14.819 4.664 {n ser 90}19.415 -14.131 3.532 {ca ser 90}19.325 -14.831 2.277 {c ser 90}20.512 -15.693 1.990 {o ser 90}20.448 -16.514 1.054 {c ser 90}P 20.512 -15.693 1.990 {n leu 91}21.638 -15.520 2.739 {ca leu 91}22.854 -16.292 2.392 {ca asp 92}24.218 -19.805 2.903 {ca ala 93}26.547 -20.442 5.861 {ca val 94}29.961 -19.759 4.200 {ca arg 95}28.886 -16.563 2.486 {ca arg 96}27.437 -15.459 5.809 {ca cys 97}31.026 -15.622 7.207 {ca ala 98}32.210 -13.374 4.314 {ca leu 99}29.693 -10.654 5.209 {ca ile 100}30.635 -10.925 8.874 {ca asn 101}34.295 -10.473 7.891 {ca met 102}33.563 -7.208 6.027 {ca val 103}31.487 -5.848 8.925 {ca phe 104}34.283 -6.659 11.357 {ca gln 105}36.833 -4.767 9.188 {ca met 106}34.774 -1.872 8.026 {ca gly 107}31.874 -1.434 10.400 {ca glu 108}28.109 -1.811 9.686 {ca thr 109}27.770 1.622 8.189 {ca gly 110}30.606 1.031 5.805 {ca val 111}29.230 -2.241 4.495 {ca ala 112}25.691 -0.913 4.324 {ca gly 113}27.123 1.633 1.861 {ca phe 114}27.779 -1.130 -0.709 {ca thr 115}24.188 -0.848 -1.957 {ca asn 116}24.633 -2.355 -5.392 {ca ser 117}26.836 -5.268 -4.279 {ca leu 118}24.379 -6.130 -1.477 {ca arg 119}21.547 -6.227 -4.034 {ca met 120}23.536 -8.613 -6.245 {ca leu 121}24.466 -10.929 -3.351 {ca gln 122}20.813 -11.040 -2.439 {ca gln 123}19.892 -11.964 -5.921 {ca lys 124}22.581 -14.595 -5.911 {ca arg 125}24.486 -13.183 -8.891 {ca trp 126}27.904 -14.324 -7.593 {ca asp 127}30.047 -13.333 -10.524 {ca glu 128}28.499 -9.932 -10.972 {ca ala 129}28.774 -9.095 -7.354 {ca ala 130}32.457 -10.123 -7.134 {ca val 131}33.279 -7.769 -9.978 {ca asn 132}31.310 -4.903 -8.267 {ca leu 133}32.887 -5.448 -4.857 {ca ala 134}36.359 -5.000 -6.448 {ca lys 135}35.496 -1.456 -7.469 {ca ser 136}36.084 0.026 -4.063 {ca arg 137}38.704 1.782 -1.983 {ca trp 138}38.524 -1.342 0.218 {ca tyr 139}39.810 -3.619 -2.536 {ca asn 140}42.411 -1.116 -3.694 {ca gln 141}43.813 -0.604 -0.230 {c gln 141}44.352 -1.908 0.349 {o gln 141}45.523 -1.964 0.803 {c gln 141}P 44.352 -1.908 0.349 {n thr 142}43.479 -2.926 0.476 {ca thr 142}43.868 -4.198 1.084 {c thr 142}43.474 -5.281 0.154 {o thr 142}42.592 -6.046 0.449 {c thr 142}P 43.474 -5.281 0.154 {n pro 143}44.150 -5.339 -0.980 {ca pro 143}43.794 -6.309 -1.999 {c pro 143}43.928 -7.803 -1.697 {o pro 143}43.083 -8.552 -2.132 {c pro 143}P 43.928 -7.803 -1.697 {n asp 144}44.959 -8.279 -0.991 {ca asp 144}45.116 -9.708 -0.743 {c asp 144}43.940 -10.220 0.080 {o asp 144}43.342 -11.280 -0.152 {c asp 144}P 43.940 -10.220 0.080 {n arg 145}43.613 -9.414 1.085 {ca arg 145}42.503 -9.740 1.936 {c arg 145}41.141 -9.608 1.196 {o arg 145}40.294 -10.533 1.239 {c arg 145}P 41.141 -9.608 1.196 {n ala 146}40.897 -8.456 0.511 {ca ala 146}39.650 -8.272 -0.229 {c ala 146}39.453 -9.453 -1.188 {o ala 146}38.381 -10.016 -1.311 {c ala 146}P 39.453 -9.453 -1.188 {n lys 147}40.504 -9.853 -1.883 {ca lys 147}40.421 -10.972 -2.815 {c lys 147}39.964 -12.236 -2.139 {o lys 147}39.239 -13.044 -2.710 {c lys 147}P 39.964 -12.236 -2.139 {n arg 148}40.481 -12.469 -0.944 {ca arg 148}40.083 -13.686 -0.232 {c arg 148}38.578 -13.665 0.049 {o arg 148}37.879 -14.669 -0.191 {c arg 148}P 38.578 -13.665 0.049 {n val 149}38.082 -12.516 0.534 {ca val 149}36.667 -12.352 0.876 {c val 149}35.775 -12.449 -0.339 {o val 149}34.740 -13.140 -0.362 {c val 149}P 35.775 -12.449 -0.339 {n ile 150}36.234 -11.777 -1.380 {ca ile 150}35.518 -11.799 -2.629 {c ile 150}35.358 -13.215 -3.192 {o ile 150}34.292 -13.583 -3.652 {c ile 150}P 35.358 -13.215 -3.192 {n thr 151}36.420 -14.017 -3.202 {ca thr 151}36.329 -15.402 -3.728 {c thr 151}35.385 -16.225 -2.897 {o thr 151}34.781 -17.171 -3.420 {c thr 151}P 35.385 -16.225 -2.897 {n thr 152}35.326 -15.893 -1.582 {ca thr 152}34.437 -16.591 -0.664 {c thr 152}32.964 -16.303 -1.073 {o thr 152}32.104 -17.198 -1.074 {c thr 152}P 32.964 -16.303 -1.073 {n phe 153}32.678 -15.052 -1.451 {ca phe 153}31.342 -14.705 -1.887 {c phe 153}31.079 -15.305 -3.258 {o phe 153}29.964 -15.683 -3.641 {c phe 153}P 31.079 -15.305 -3.258 {n arg 154}32.133 -15.339 -4.040 {ca arg 154}32.045 -15.883 -5.383 {c arg 154}31.748 -17.384 -5.430 {o arg 154}30.829 -17.809 -6.112 {c arg 154}P 31.748 -17.384 -5.430 {n thr 155}32.504 -18.178 -4.673 {ca thr 155}32.356 -19.615 -4.700 {c thr 155}31.556 -20.279 -3.600 {o thr 155}31.117 -21.392 -3.763 {c thr 155}P 31.556 -20.279 -3.600 {n gly 156}31.422 -19.670 -2.464 {ca gly 156}30.687 -20.326 -1.435 {ca thr 157}33.604 -22.404 -0.316 {ca trp 158}36.700 -21.876 1.819 {ca asp 159}39.231 -22.389 -0.946 {ca ala 160}40.812 -18.966 -0.518 {ca tyr 161}41.846 -19.758 3.003 {ca lys 162}42.649 -23.464 2.662 {ca asn 163}45.885 -22.322 1.477 {ca leu 164}46.767 -20.138 4.441 @vectorlist {Hb} color= brown master= {Hbonds} {ala 146 hn} <1.960>P U 41.570 -7.717 0.504 {thr 142 o}U 42.285 -6.547 0.465 {lys 147 hn} <1.933>P U 41.373 -9.373 -1.762 {pro 143 o}U 42.570 -8.798 -2.021 {arg 148 hn} <2.312>P U 41.129 -11.822 -0.543 {asp 144 o}U 42.678 -11.443 -0.269 {val 149 hn} <2.080>P U 38.700 -11.741 0.668 {arg 145 o}U 39.816 -10.895 1.068 {ile 150 hn} <1.793>P U 37.081 -11.251 -1.304 {ala 146 o}U 37.991 -10.387 -1.309 {thr 151 hn} <2.054>P U 37.286 -13.666 -2.846 {lys 147 o}U 38.653 -13.231 -2.751 {thr 152 hn} <2.285>P U 35.898 -15.157 -1.221 {arg 148 o}U 37.285 -14.815 -0.500 {phe 153 hn} <2.107>P U 33.385 -14.345 -1.436 {val 149 o}U 34.333 -13.502 -0.684 {arg 154 hn} <1.904>P U 33.003 -14.984 -3.698 {ile 150 o}U 33.905 -14.003 -3.666 {thr 155 hn} <1.819>P U 33.193 -17.777 -4.069 {thr 151 o}U 34.305 -17.353 -3.615 {gly 156 hn} <2.021>P U 31.824 -18.766 -2.318 {thr 152 o}U 32.020 -17.668 -1.447 @subgroup {sidechain} @balllist {O} color= red radius= 0.150 {od1 asp 144}48.768 -9.392 -0.129 {od2 asp 144}47.613 -9.806 -2.040 @vectorlist {mut sc} color= hotpink {ca asp 144}P 45.116 -9.708 -0.743 {cb asp 144}46.404 -9.920 0.081 {cg asp 144}47.710 -9.656 -0.700 {od1 asp 144}48.768 -9.392 -0.129 {cg asp 144}P 47.710 -9.656 -0.700 {od2 asp 144}47.613 -9.806 -2.040 @vectorlist {mut sc} color= pink {ca ser 38} P 47.861, 9.965, 20.394 {cb ser 38} L 47.364, 10.918, 21.508 {og ser 38} L 47.946, 10.493, 22.761 {ca ala 82} P 17.846, -2.990, 8.177 {cb ala 82} L 16.767, -1.922, 8.123 @labellist {mut G} color= pink { G} <77>25.136 -5.385 14.311 @vectorlist {sc} color= cyan master= {nearby sc} {ca asn 140}P 42.411 -1.116 -3.694 {cb asn 140}42.104 0.243 -4.367 {cg asn 140}41.658 -0.049 -5.773 {od1 asn 140}40.499 0.156 -6.133 {cg asn 140}P 41.658 -0.049 -5.773 {nd2 asn 140}42.537 -0.688 -6.516 {ca gln 141}P 43.813 -0.604 -0.230 {cb gln 141}43.088 0.152 0.898 {cg gln 141}43.017 1.698 0.808 {cd gln 141}44.103 2.436 0.016 {oe1 gln 141}43.886 2.946 -1.123 {cd gln 141}P 44.103 2.436 0.016 {ne2 gln 141}45.241 2.609 0.663 {ca thr 142}P 43.868 -4.198 1.084 {cb thr 142}43.127 -4.451 2.427 {og1 thr 142}41.748 -4.094 2.310 {cb thr 142}P 43.127 -4.451 2.427 {cg2 thr 142}43.784 -3.592 3.504 {ca pro 143}P 43.794 -6.309 -1.999 {cb pro 143}44.530 -5.908 -3.278 {cg pro 143}45.724 -5.042 -2.814 {cd pro 143}45.385 -4.564 -1.390 {n pro 143}P 44.150 -5.339 -0.980 {cd pro 143}45.385 -4.564 -1.390 {ca arg 145}P 42.503 -9.740 1.936 {cb arg 145}42.498 -8.973 3.256 {cg arg 145}41.117 -9.106 3.903 {cd arg 145}40.960 -8.258 5.134 {ne arg 145}39.892 -8.648 6.065 {cz arg 145}39.964 -8.291 7.376 {nh1 arg 145}41.011 -7.577 7.822 {cz arg 145}P 39.964 -8.291 7.376 {nh2 arg 145}38.988 -8.613 8.252 {ca ala 146}P 39.650 -8.272 -0.229 {cb ala 146}39.641 -6.922 -0.957 {ca lys 147}P 40.421 -10.972 -2.815 {cb lys 147}41.774 -11.295 -3.383 {cg lys 147}41.948 -10.495 -4.646 {cd lys 147}43.287 -10.666 -5.306 {ce lys 147}43.658 -9.394 -6.030 {nz lys 147}45.087 -9.095 -5.923 {ca arg 148}P 40.083 -13.686 -0.232 {cb arg 148}40.883 -13.950 1.058 {cg arg 148}42.360 -14.392 0.883 {cd arg 148}42.921 -14.976 2.172 {ne arg 148}43.193 -13.941 3.160 {cz arg 148}44.264 -13.134 3.148 {nh1 arg 148}44.406 -12.216 4.070 {cz arg 148}P 44.264 -13.134 3.148 {nh2 arg 148}45.221 -13.251 2.202 @group {T4 wildtype} dominant 2animate @vectorlist {mc} color= white {ca met 1}P 36.900 -23.524 8.993 {ca asn 2}34.757 -20.992 10.896 {ca ile 3}34.437 -17.218 11.334 {ca phe 4}37.022 -17.162 14.104 {ca glu 5}39.711 -19.023 12.179 {ca met 6}38.919 -16.971 9.102 {ca leu 7}39.362 -13.644 10.910 {ca arg 8}42.443 -14.885 12.735 {ca ile 9}44.038 -15.487 9.360 {ca asp 10}43.093 -12.059 8.011 {ca glu 11}43.921 -9.937 11.067 {ca gly 12}46.836 -11.766 12.720 {ca leu 13}47.489 -11.655 16.490 {ca arg 14}49.679 -8.925 18.103 {ca leu 15}50.051 -8.550 21.875 {ca lys 16}51.526 -5.013 21.866 {ca ile 17}49.796 -1.816 20.523 {ca tyr 18}50.377 -1.512 16.785 {ca lys 19}49.272 0.563 13.823 {ca asp 20}46.810 -1.014 11.420 {ca thr 21}46.966 -0.705 7.631 {ca glu 22}45.296 2.693 7.950 {ca gly 23}47.775 3.877 10.551 {ca tyr 24}45.366 3.476 13.474 {ca tyr 25}46.196 2.208 16.951 {ca thr 26}45.101 -1.458 17.332 {ca ile 27}45.844 -4.478 19.419 {ca gly 28}45.085 -8.236 19.484 {ca ile 29}43.116 -9.700 16.623 {ca gly 30}42.277 -6.453 14.784 {ca his 31}40.675 -4.637 17.728 {ca leu 32}40.761 -0.933 16.797 {ca leu 33}41.535 1.222 19.786 {ca thr 34}41.208 4.795 18.464 {ca lys 35}41.465 6.773 15.291 {c lys 35}42.372 7.966 15.575 {o lys 35}42.936 8.562 14.689 {c lys 35}P 42.372 7.966 15.575 {n ser 36}42.515 8.287 16.841 {ca ser 36}43.356 9.365 17.323 {c ser 36}44.864 9.082 17.218 {o ser 36}45.390 7.973 17.417 {c ser 36}P 44.864 9.082 17.218 {n pro 37}45.583 10.142 16.905 {ca pro 37}47.003 10.052 16.704 {c pro 37}47.838 9.875 17.950 {o pro 37}49.033 9.572 17.873 {c pro 37}P 47.838 9.875 17.950 {n ser 38}47.222 10.027 19.104 {ca ser 38}47.986 9.917 20.320 {c ser 38}48.110 8.516 20.863 {o ser 38}47.106 7.879 21.139 {c ser 38}P 48.110 8.516 20.863 {n leu 39}49.348 8.064 21.062 {ca leu 39}49.601 6.754 21.622 {c leu 39}49.071 6.758 23.025 {o leu 39}48.805 5.727 23.648 {c leu 39}P 49.071 6.758 23.025 {n asn 40}48.933 7.961 23.534 {ca asn 40}48.462 8.082 24.891 {c asn 40}46.977 7.827 24.970 {o asn 40}46.503 7.116 25.868 {c asn 40}P 46.977 7.827 24.970 {n ala 41}46.280 8.385 23.986 {ca ala 41}44.850 8.203 23.855 {c ala 41}44.590 6.709 23.661 {o ala 41}43.649 6.163 24.198 {c ala 41}P 44.590 6.709 23.661 {n ala 42}45.497 6.023 22.964 {ca ala 42}45.395 4.580 22.721 {c ala 42}45.625 3.777 23.964 {o ala 42}44.963 2.755 24.224 {c ala 42}P 45.625 3.777 23.964 {n lys 43}46.610 4.165 24.731 {ca lys 43}46.906 3.387 25.938 {c lys 43}45.760 3.481 26.948 {o lys 43}45.461 2.535 27.674 {c lys 43}P 45.760 3.481 26.948 {n ser 44}45.100 4.628 26.918 {ca ser 44}43.972 4.898 27.762 {c ser 44}42.750 4.050 27.370 {o ser 44}42.039 3.486 28.201 {c ser 44}P 42.750 4.050 27.370 {n glu 45}42.495 3.972 26.092 {ca glu 45}41.379 3.192 25.579 {c glu 45}41.611 1.733 25.900 {o glu 45}40.702 0.993 26.273 {c glu 45}P 41.611 1.733 25.900 {n leu 46}42.854 1.306 25.755 {ca leu 46}43.216 -0.072 26.042 {c leu 46}42.936 -0.468 27.486 {o leu 46}42.357 -1.524 27.791 {c leu 46}P 42.936 -0.468 27.486 {n asp 47}43.372 0.375 28.409 {ca asp 47}43.151 0.068 29.837 {c asp 47}41.677 0.035 30.180 {o asp 47}41.260 -0.760 30.993 {c asp 47}P 41.677 0.035 30.180 {n lys 48}40.914 0.914 29.524 {ca lys 48}39.465 0.989 29.706 {c lys 48}38.817 -0.313 29.160 {o lys 48}37.928 -0.896 29.747 {c lys 48}P 38.817 -0.313 29.160 {n ala 49}39.296 -0.774 28.015 {ca ala 49}38.762 -1.966 27.425 {c ala 49}39.073 -3.249 28.184 {o ala 49}38.268 -4.177 28.201 {c ala 49}P 39.073 -3.249 28.184 {n ile 50}40.230 -3.325 28.802 {ca ile 50}40.693 -4.536 29.512 {c ile 50}40.346 -4.535 30.993 {o ile 50}40.100 -5.574 31.611 {c ile 50}P 40.346 -4.535 30.993 {n gly 51}40.319 -3.343 31.555 {ca gly 51}39.976 -3.222 32.968 {ca arg 52}43.588 -3.022 34.052 {ca asn 53}46.713 -0.960 33.601 {ca cys 54}48.221 -2.670 30.657 {ca asn 55}50.968 -0.344 29.706 {ca gly 56}50.278 -1.118 25.984 {ca val 57}50.571 -4.830 26.339 {ca ile 58}47.995 -7.639 26.758 {ca thr 59}47.962 -11.446 27.124 {c thr 59}47.110 -12.068 26.020 {o thr 59}46.170 -11.460 25.534 {c thr 59}P 47.110 -12.068 26.020 {n lys 60}47.417 -13.322 25.670 {ca lys 60}46.694 -14.039 24.653 {c lys 60}45.206 -14.134 24.991 {o lys 60}44.335 -13.900 24.156 {c lys 60}P 45.206 -14.134 24.991 {n asp 61}44.948 -14.496 26.250 {ca asp 61}43.630 -14.611 26.806 {c asp 61}42.812 -13.331 26.645 {o asp 61}41.632 -13.401 26.298 {c asp 61}P 42.812 -13.331 26.645 {n glu 62}43.435 -12.164 26.951 {ca glu 62}42.798 -10.844 26.844 {c glu 62}42.506 -10.563 25.362 {o glu 62}41.443 -10.072 25.039 {c glu 62}P 42.506 -10.563 25.362 {n ala 63}43.442 -10.952 24.482 {ca ala 63}43.250 -10.770 23.044 {c ala 63}42.052 -11.551 22.536 {o ala 63}41.272 -11.070 21.727 {c ala 63}P 42.052 -11.551 22.536 {n glu 64}41.943 -12.778 22.987 {ca glu 64}40.854 -13.613 22.598 {c glu 64}39.526 -13.175 23.190 {o glu 64}38.471 -13.375 22.584 {c glu 64}P 39.526 -13.175 23.190 {n lys 65}39.552 -12.582 24.341 {ca lys 65}38.300 -12.109 24.910 {c lys 65}37.753 -10.933 24.098 {o lys 65}36.560 -10.893 23.742 {c lys 65}P 37.753 -10.933 24.098 {n leu 66}38.655 -9.983 23.757 {ca leu 66}38.256 -8.850 22.921 {c leu 66}37.741 -9.373 21.562 {o leu 66}36.757 -8.859 21.024 {c leu 66}P 37.741 -9.373 21.562 {n phe 67}38.384 -10.437 21.058 {ca phe 67}37.984 -11.002 19.794 {c phe 67}36.562 -11.571 19.881 {o phe 67}35.739 -11.334 18.999 {c phe 67}P 36.562 -11.571 19.881 {n asn 68}36.255 -12.324 20.927 {ca asn 68}34.920 -12.880 21.080 {c asn 68}33.892 -11.744 21.125 {o asn 68}32.824 -11.795 20.510 {c asn 68}P 33.892 -11.744 21.125 {n gln 69}34.201 -10.672 21.856 {ca gln 69}33.260 -9.535 21.902 {c gln 69}33.037 -8.893 20.574 {o gln 69}31.910 -8.511 20.274 {c gln 69}P 33.037 -8.893 20.574 {n asp 70}34.134 -8.709 19.817 {ca asp 70}34.040 -8.075 18.536 {c asp 70}33.249 -8.844 17.514 {o asp 70}32.512 -8.232 16.706 {c asp 70}P 33.249 -8.844 17.514 {n val 71}33.395 -10.182 17.500 {ca val 71}32.673 -11.039 16.530 {c val 71}31.151 -11.010 16.867 {o val 71}30.298 -10.833 16.009 {c val 71}P 31.151 -11.010 16.867 {n asp 72}30.845 -11.129 18.170 {ca asp 72}29.482 -11.064 18.638 {c asp 72}28.825 -9.737 18.251 {o asp 72}27.668 -9.677 17.770 {c asp 72}P 28.825 -9.737 18.251 {n ala 73}29.551 -8.647 18.502 {ca ala 73}29.041 -7.327 18.192 {c ala 73}28.833 -7.163 16.693 {o ala 73}27.850 -6.537 16.285 {c ala 73}P 28.833 -7.163 16.693 {n ala 74}29.749 -7.743 15.864 {ca ala 74}29.605 -7.662 14.378 {c ala 74}28.297 -8.379 13.974 {o ala 74}27.495 -7.852 13.212 {c ala 74}P 28.297 -8.379 13.974 {n val 75}28.094 -9.608 14.484 {ca val 75}26.881 -10.376 14.171 {c val 75}25.584 -9.627 14.568 {o val 75}24.668 -9.485 13.754 {c val 75}P 25.584 -9.627 14.568 {n arg 76}25.535 -9.135 15.822 {ca arg 76}24.386 -8.421 16.385 {c arg 76}24.114 -7.158 15.592 {o arg 76}22.979 -6.779 15.363 {c arg 76}P 24.114 -7.158 15.592 {n gly 77}25.182 -6.536 15.115 {ca gly 77}25.051 -5.341 14.336 {c gly 77}24.386 -5.618 12.995 {o gly 77}23.555 -4.863 12.504 {c gly 77}P 24.386 -5.618 12.995 {n ile 78}24.780 -6.691 12.353 {ca ile 78}24.190 -7.056 11.064 {c ile 78}22.684 -7.328 11.256 {o ile 78}21.862 -6.879 10.459 {c ile 78}P 22.684 -7.328 11.256 {n leu 79}22.350 -8.054 12.345 {ca leu 79}20.982 -8.461 12.648 {c leu 79}20.073 -7.320 12.958 {o leu 79}18.884 -7.437 12.750 {c leu 79}P 20.073 -7.320 12.958 {n arg 80}20.662 -6.225 13.436 {ca arg 80}19.944 -5.002 13.784 {c arg 80}19.905 -4.019 12.647 {o arg 80}19.196 -3.038 12.704 {c arg 80}P 19.905 -4.019 12.647 {n asn 81}20.682 -4.236 11.623 {ca asn 81}20.727 -3.305 10.564 {c asn 81}19.704 -3.611 9.475 {o asn 81}19.613 -4.721 8.972 {c asn 81}P 19.704 -3.611 9.475 {n ala 82}18.888 -2.625 9.101 {ca ala 82}17.818 -2.859 8.116 {c ala 82}18.300 -3.162 6.723 {o ala 82}17.637 -3.805 5.929 {c ala 82}P 18.300 -3.162 6.723 {n lys 83}19.502 -2.724 6.429 {ca lys 83}20.037 -2.989 5.137 {c lys 83}20.778 -4.301 5.086 {o lys 83}20.831 -4.955 4.055 {c lys 83}P 20.778 -4.301 5.086 {n leu 84}21.406 -4.653 6.197 {ca leu 84}22.228 -5.869 6.214 {c leu 84}21.503 -7.165 6.501 {o leu 84}21.865 -8.190 5.961 {c leu 84}P 21.503 -7.165 6.501 {n lys 85}20.554 -7.109 7.421 {ca lys 85}19.793 -8.274 7.855 {c lys 85}19.194 -9.106 6.722 {o lys 85}19.295 -10.307 6.712 {c lys 85}P 19.194 -9.106 6.722 {n pro 86}18.520 -8.465 5.799 {ca pro 86}17.896 -9.176 4.710 {c pro 86}18.919 -9.893 3.881 {o pro 86}18.704 -11.002 3.472 {c pro 86}P 18.919 -9.893 3.881 {n val 87}20.074 -9.295 3.682 {ca val 87}21.160 -9.970 2.909 {c val 87}21.684 -11.210 3.639 {o val 87}21.759 -12.318 3.124 {c val 87}P 21.684 -11.210 3.639 {n tyr 88}21.978 -11.027 4.931 {ca tyr 88}22.448 -12.068 5.800 {c tyr 88}21.493 -13.246 5.793 {o tyr 88}21.900 -14.416 5.605 {c tyr 88}P 21.493 -13.246 5.793 {n asp 89}20.201 -12.945 5.987 {ca asp 89}19.206 -14.007 6.030 {c asp 89}19.111 -14.785 4.741 {o asp 89}18.766 -15.980 4.754 {c asp 89}P 19.111 -14.785 4.741 {n ser 90}19.410 -14.115 3.611 {ca ser 90}19.319 -14.789 2.352 {c ser 90}20.484 -15.677 2.036 {o ser 90}20.411 -16.503 1.098 {c ser 90}P 20.484 -15.677 2.036 {n leu 91}21.590 -15.507 2.749 {ca leu 91}22.812 -16.267 2.418 {ca asp 92}24.229 -19.760 2.945 {ca ala 93}26.549 -20.464 5.973 {ca val 94}29.892 -19.850 4.232 {ca arg 95}28.779 -16.616 2.562 {ca arg 96}27.413 -15.381 5.884 {ca cys 97}30.997 -15.587 7.183 {ca ala 98}32.218 -13.374 4.313 {ca leu 99}29.722 -10.630 5.241 {ca ile 100}30.665 -10.852 8.888 {ca asn 101}34.386 -10.430 7.882 {ca met 102}33.538 -7.211 5.935 {ca val 103}31.545 -5.793 8.895 {ca phe 104}34.339 -6.593 11.314 {ca gln 105}36.891 -4.773 9.142 {ca met 106}34.921 -1.812 8.007 {ca gly 107}31.921 -1.352 10.299 {ca glu 108}28.170 -1.714 9.689 {ca thr 109}27.902 1.669 8.136 {ca gly 110}30.724 1.090 5.739 {ca val 111}29.349 -2.210 4.431 {ca ala 112}25.769 -0.850 4.322 {ca gly 113}27.189 1.671 1.840 {ca phe 114}27.871 -1.107 -0.752 {ca thr 115}24.312 -0.809 -2.042 {ca asn 116}24.705 -2.373 -5.452 {ca ser 117}26.859 -5.314 -4.310 {ca leu 118}24.388 -6.078 -1.488 {ca arg 119}21.540 -6.185 -4.036 {ca met 120}23.481 -8.576 -6.265 {ca leu 121}24.393 -10.882 -3.391 {ca gln 122}20.742 -10.967 -2.343 {ca gln 123}19.858 -11.961 -5.853 {ca lys 124}22.544 -14.626 -5.808 {ca arg 125}24.383 -13.180 -8.839 {ca trp 126}27.799 -14.362 -7.627 {ca asp 127}30.031 -13.374 -10.466 {ca glu 128}28.456 -10.008 -10.817 {ca ala 129}28.730 -9.212 -7.182 {ca ala 130}32.460 -10.199 -7.135 {ca val 131}33.248 -7.834 -9.968 {ca asn 132}31.278 -4.964 -8.284 {ca leu 133}32.887 -5.486 -4.866 {ca ala 134}36.383 -5.104 -6.463 {ca lys 135}35.526 -1.545 -7.562 {ca ser 136}36.096 -0.048 -4.158 {ca arg 137}38.736 1.699 -2.096 {ca trp 138}38.607 -1.453 0.169 {ca tyr 139}39.873 -3.673 -2.684 {ca asn 140}42.575 -1.195 -3.781 {ca gln 141}43.850 -0.664 -0.247 {c gln 141}44.363 -1.976 0.370 {o gln 141}45.501 -2.043 0.884 {c gln 141}P 44.363 -1.976 0.370 {n thr 142}43.521 -3.037 0.419 {ca thr 142}43.933 -4.330 1.010 {c thr 142}43.522 -5.403 0.057 {o thr 142}42.627 -6.177 0.354 {c thr 142}P 43.522 -5.403 0.057 {n pro 143}44.140 -5.432 -1.130 {ca pro 143}43.754 -6.382 -2.183 {c pro 143}43.840 -7.894 -1.848 {o pro 143}42.964 -8.652 -2.245 {c pro 143}P 43.840 -7.894 -1.848 {n asn 144}44.864 -8.366 -1.123 {ca asn 144}44.950 -9.791 -0.830 {c asn 144}43.798 -10.277 0.069 {o asn 144}43.209 -11.320 -0.174 {c asn 144}P 43.798 -10.277 0.069 {n arg 145}43.523 -9.505 1.108 {ca arg 145}42.428 -9.810 2.003 {c arg 145}41.073 -9.664 1.240 {o arg 145}40.167 -10.534 1.329 {c arg 145}P 41.073 -9.664 1.240 {n ala 146}40.882 -8.541 0.498 {ca ala 146}39.645 -8.362 -0.235 {c ala 146}39.424 -9.558 -1.199 {o ala 146}38.340 -10.108 -1.334 {c ala 146}P 39.424 -9.558 -1.199 {n lys 147}40.458 -9.976 -1.905 {ca lys 147}40.332 -11.084 -2.846 {c lys 147}39.882 -12.356 -2.165 {o lys 147}39.125 -13.119 -2.749 {c lys 147}P 39.882 -12.356 -2.165 {n arg 148}40.410 -12.619 -0.970 {ca arg 148}40.017 -13.801 -0.224 {c arg 148}38.514 -13.749 0.081 {o arg 148}37.766 -14.738 -0.099 {c arg 148}P 38.514 -13.749 0.081 {n val 149}38.064 -12.577 0.566 {ca val 149}36.625 -12.399 0.926 {c val 149}35.721 -12.513 -0.321 {o val 149}34.662 -13.179 -0.352 {c val 149}P 35.721 -12.513 -0.321 {n ile 150}36.187 -11.858 -1.368 {ca ile 150}35.509 -11.879 -2.642 {c ile 150}35.342 -13.298 -3.188 {o ile 150}34.274 -13.690 -3.650 {c ile 150}P 35.342 -13.298 -3.188 {n thr 151}36.402 -14.089 -3.141 {ca thr 151}36.348 -15.478 -3.625 {c thr 151}35.362 -16.288 -2.856 {o thr 151}34.708 -17.154 -3.407 {c thr 151}P 35.362 -16.288 -2.856 {n thr 152}35.281 -16.002 -1.551 {ca thr 152}34.362 -16.650 -0.640 {c thr 152}32.902 -16.376 -1.059 {o thr 152}32.053 -17.290 -1.139 {c thr 152}P 32.902 -16.376 -1.059 {n phe 153}32.615 -15.127 -1.417 {ca phe 153}31.273 -14.795 -1.852 {c phe 153}31.014 -15.393 -3.201 {o phe 153}29.890 -15.818 -3.562 {c phe 153}P 31.014 -15.393 -3.201 {n arg 154}32.052 -15.380 -4.000 {ca arg 154}31.897 -15.913 -5.338 {c arg 154}31.610 -17.421 -5.380 {o arg 154}30.736 -17.860 -6.094 {c arg 154}P 31.610 -17.421 -5.380 {n thr 155}32.370 -18.223 -4.624 {ca thr 155}32.285 -19.655 -4.644 {c thr 155}31.464 -20.303 -3.569 {o thr 155}31.055 -21.434 -3.698 {c thr 155}P 31.464 -20.303 -3.569 {n gly 156}31.317 -19.661 -2.456 {ca gly 156}30.591 -20.276 -1.406 {ca thr 157}33.570 -22.455 -0.329 {ca trp 158}36.614 -21.931 1.898 {ca asp 159}39.131 -22.426 -0.836 {ca ala 160}40.764 -18.969 -0.472 {ca tyr 161}41.745 -19.826 3.036 {ca lys 162}42.739 -23.519 2.699 {ca asn 163}45.908 -22.467 1.444 {ca leu 164}46.721 -20.175 4.378 @vectorlist {Hb} color= brown master= {Hbonds} {ala 63 hn} <2.026>P U 44.309 -11.380 24.736 {thr 59 o}U 45.612 -11.436 25.295 {glu 64 hn} <1.951>P U 42.593 -13.206 23.616 {lys 60 o}U 43.812 -13.692 23.994 {lys 65 hn} <2.133>P U 40.371 -12.414 24.889 {asp 61 o}U 41.254 -13.105 25.875 {leu 66 hn} <2.086>P U 39.615 -9.984 24.037 {glu 62 o}U 40.895 -10.046 24.738 {phe 67 hn} <2.137>P U 39.154 -10.897 21.501 {ala 63 o}U 40.637 -11.018 21.659 {asn 68 hn} <2.003>P U 36.893 -12.557 21.661 {glu 64 o}U 37.998 -13.130 22.307 {gln 69 hn} <2.061>P U 35.037 -10.562 22.393 {lys 65 o}U 36.103 -10.794 23.337 {asp 70 hn} <1.948>P U 35.057 -8.989 20.081 {leu 66 o}U 36.247 -8.898 20.741 {val 71 hn} <2.060>P U 33.988 -10.684 18.130 {phe 67 o}U 35.214 -11.139 18.738 {asp 72 hn} <2.142>P U 31.523 -11.268 18.892 {asn 68 o}U 32.434 -11.637 20.025 {ala 73 hn} <1.995>P U 30.465 -8.659 18.907 {gln 69 o}U 31.476 -8.555 19.864 {ala 74 hn} <2.028>P U 30.554 -8.246 16.179 {asp 70 o}U 31.925 -8.236 16.548 {val 75 hn} <1.964>P U 28.734 -10.074 15.095 {val 71 o}U 29.829 -10.605 15.735 {arg 76 hn} <1.947>P U 26.295 -9.226 16.466 {asp 72 o}U 27.256 -9.542 17.379 {gly 77 hn} <2.033>P U 26.123 -6.842 15.257 {ala 73 o}U 27.332 -6.628 15.977 {ile 78 hn} <2.145>P U 25.486 -7.318 12.682 {ala 74 o}U 26.892 -7.692 13.053 {leu 79 hn} <2.124>P U 23.019 -8.364 13.021 {val 75 o}U 24.173 -9.149 13.534 {arg 80 hn} <2.300>P U 21.648 -6.164 13.591 {arg 76 o}U 22.580 -6.595 14.831 {asn 81 hn} <2.204>P U 21.274 -5.035 11.514 {ile 78 o}U 21.686 -6.326 10.775 {lys 85 hn} <2.005>P U 20.291 -6.263 7.884 {asn 81 o}U 19.816 -5.184 8.646 {tyr 88 hn} <2.034>P U 21.889 -10.141 5.386 {leu 84 o}U 21.872 -8.775 5.788 {asp 89 hn} <1.896>P U 19.842 -12.020 6.110 {lys 85 o}U 19.459 -10.821 6.531 {ser 90 hn} <2.377>P U 19.699 -13.159 3.568 {pro 86 o}U 19.003 -11.649 3.501 {leu 91 hn} <2.143>P U 21.676 -14.883 3.526 {tyr 88 o}U 21.833 -14.556 4.981 @subgroup {sidechain} @balllist {O} color= red radius= 0.150 {og ser 38}47.889 10.504 22.669 {od1 asn 144}47.158 -10.146 -2.555 @balllist {N} color= sky radius= 0.150 {nd2 asn 144}48.611 -9.840 -0.914 @labellist {G} color= pink { G} <77>25.051 -5.341 14.336 @vectorlist {mut sc} color= pink {ca ser 38}P 47.986 9.917 20.320 {cb ser 38}47.400 10.882 21.362 {og ser 38}47.889 10.504 22.669 {ca ala 82}P 17.818 -2.859 8.116 {cb ala 82}16.803 -1.721 8.076 {ca asn 144}P 44.950 -9.791 -0.830 {cb asn 144}46.301 -10.163 -0.220 {cg asn 144}47.456 -10.041 -1.266 {od1 asn 144}47.158 -10.146 -2.555 {cg asn 144}P 47.456 -10.041 -1.266 {nd2 asn 144}48.611 -9.840 -0.914 @vectorlist {sc} color= cyan master= {nearby sc} {ca ala 73}P 29.041 -7.327 18.192 {cb ala 73}30.029 -6.268 18.646 {ca ala 74}P 29.605 -7.662 14.378 {cb ala 74}30.773 -8.307 13.645 {ca arg 80}P 19.944 -5.002 13.784 {cb arg 80}20.616 -4.255 14.937 {cg arg 80}20.276 -4.806 16.313 {cd arg 80}20.753 -3.853 17.419 {ne arg 80}22.162 -4.067 17.798 {cz arg 80}23.235 -3.316 17.467 {nh1 arg 80}23.207 -2.192 16.716 {cz arg 80}P 23.235 -3.316 17.467 {nh2 arg 80}24.405 -3.738 17.925 {ca asn 81}P 20.727 -3.305 10.564 {cb asn 81}22.155 -3.252 10.050 {cg asn 81}22.302 -2.091 9.123 {od1 asn 81}21.696 -2.048 8.064 {cg asn 81}P 22.302 -2.091 9.123 {nd2 asn 81}23.108 -1.137 9.528 {ca lys 83}P 20.037 -2.989 5.137 {cb lys 83}21.049 -1.918 4.790 {cg lys 83}20.417 -0.774 4.022 {cd lys 83}20.300 0.468 4.881 {ce lys 83}19.584 1.611 4.172 {nz lys 83}20.455 2.783 3.923 {ca leu 84}P 22.228 -5.869 6.214 {cb leu 84}23.425 -5.703 7.181 {cg leu 84}24.356 -4.550 6.787 {cd1 leu 84}25.415 -4.337 7.857 {cg leu 84}P 24.356 -4.550 6.787 {cd2 leu 84}24.972 -4.762 5.402 {ca pro 86}P 17.896 -9.176 4.710 {cb pro 86}17.165 -8.143 3.844 {cg pro 86}17.304 -6.817 4.579 {cd pro 86}18.316 -6.999 5.687 {n pro 86}P 18.520 -8.465 5.799 {cd pro 86}18.316 -6.999 5.687 {ca val 87}P 21.160 -9.970 2.909 {cb val 87}22.293 -8.986 2.574 {cg1 val 87}23.385 -9.661 1.707 {cb val 87}P 22.293 -8.986 2.574 {cg2 val 87}21.693 -7.701 1.941 {ca glu 108}P 28.170 -1.714 9.689 {cb glu 108}27.281 -1.424 10.928 {cg glu 108}25.976 -2.172 11.045 {cd glu 108}25.055 -1.623 12.115 {oe1 glu 108}24.002 -1.057 11.877 {cd glu 108}P 25.055 -1.623 12.115 {oe2 glu 108}25.466 -1.882 13.330 @group {T4 G77A} dominant 2animate @vectorlist {mc} color= bluetint {ca met 1}P 36.842 -23.514 9.030 {ca asn 2}34.678 -20.991 10.930 {ca ile 3}34.386 -17.181 11.325 {ca phe 4}36.968 -17.127 14.098 {ca glu 5}39.637 -19.019 12.184 {ca met 6}38.872 -16.930 9.095 {ca leu 7}39.285 -13.630 10.881 {ca arg 8}42.331 -14.865 12.749 {ca ile 9}44.017 -15.486 9.434 {ca asp 10}43.048 -12.080 8.020 {ca glu 11}43.877 -9.947 11.045 {ca gly 12}46.725 -11.813 12.759 {ca leu 13}47.424 -11.646 16.508 {ca arg 14}49.557 -8.898 18.128 {ca leu 15}49.982 -8.559 21.835 {ca lys 16}51.514 -5.054 21.766 {ca ile 17}49.745 -1.798 20.521 {ca tyr 18}50.337 -1.535 16.802 {ca lys 19}49.277 0.538 13.851 {ca asp 20}46.843 -0.976 11.394 {ca thr 21}46.972 -0.722 7.603 {ca glu 22}45.283 2.724 7.953 {ca gly 23}47.729 3.864 10.554 {ca tyr 24}45.367 3.476 13.483 {ca tyr 25}46.199 2.194 16.938 {ca thr 26}45.036 -1.458 17.268 {ca ile 27}45.812 -4.458 19.499 {ca gly 28}45.068 -8.236 19.561 {ca ile 29}43.099 -9.647 16.659 {ca gly 30}42.266 -6.462 14.751 {ca his 31}40.689 -4.657 17.732 {ca leu 32}40.773 -0.950 16.797 {ca leu 33}41.542 1.219 19.773 {ca thr 34}41.235 4.794 18.488 {ca lys 35}41.523 6.774 15.273 {c lys 35}42.459 7.945 15.560 {o lys 35}43.073 8.504 14.679 {c lys 35}P 42.459 7.945 15.560 {n ser 36}42.554 8.286 16.826 {ca ser 36}43.385 9.356 17.334 {c ser 36}44.882 9.094 17.241 {o ser 36}45.410 8.006 17.486 {c ser 36}P 44.882 9.094 17.241 {n pro 37}45.590 10.152 16.911 {ca pro 37}47.006 10.072 16.695 {c pro 37}47.846 9.883 17.916 {o pro 37}49.034 9.587 17.826 {c pro 37}P 47.846 9.883 17.916 {n ser 38}47.229 10.024 19.063 {ca ser 38}47.968 9.916 20.304 {c ser 38}48.052 8.523 20.881 {o ser 38}47.030 7.933 21.190 {c ser 38}P 48.052 8.523 20.881 {n leu 39}49.293 8.053 21.052 {ca leu 39}49.583 6.751 21.643 {c leu 39}49.046 6.698 23.074 {o leu 39}48.734 5.662 23.667 {c leu 39}P 49.046 6.698 23.074 {n asn 40}48.945 7.875 23.632 {ca asn 40}48.444 8.024 24.966 {c asn 40}46.950 7.833 24.959 {o asn 40}46.396 7.145 25.807 {c asn 40}P 46.950 7.833 24.959 {n ala 41}46.295 8.409 23.961 {ca ala 41}44.877 8.194 23.825 {c ala 41}44.601 6.688 23.623 {o ala 41}43.610 6.149 24.122 {c ala 41}P 44.601 6.688 23.623 {n ala 42}45.510 5.993 22.927 {ca ala 42}45.382 4.556 22.675 {c ala 42}45.602 3.738 23.929 {o ala 42}44.921 2.734 24.195 {c ala 42}P 45.602 3.738 23.929 {n lys 43}46.596 4.131 24.702 {ca lys 43}46.851 3.349 25.902 {c lys 43}45.697 3.449 26.891 {o lys 43}45.411 2.501 27.601 {c lys 43}P 45.697 3.449 26.891 {n ser 44}45.041 4.609 26.886 {ca ser 44}43.914 4.883 27.757 {c ser 44}42.698 4.049 27.361 {o ser 44}42.033 3.436 28.177 {c ser 44}P 42.698 4.049 27.361 {n glu 45}42.442 4.008 26.082 {ca glu 45}41.354 3.215 25.550 {c glu 45}41.602 1.758 25.870 {o glu 45}40.695 1.043 26.275 {c glu 45}P 41.602 1.758 25.870 {n leu 46}42.845 1.319 25.707 {ca leu 46}43.205 -0.056 26.016 {c leu 46}42.882 -0.455 27.461 {o leu 46}42.269 -1.488 27.772 {c leu 46}P 42.882 -0.455 27.461 {n asp 47}43.347 0.368 28.369 {ca asp 47}43.117 0.086 29.777 {c asp 47}41.624 0.056 30.123 {o asp 47}41.199 -0.714 30.988 {c asp 47}P 41.624 0.056 30.123 {n lys 48}40.868 0.951 29.449 {ca lys 48}39.409 1.035 29.591 {c lys 48}38.766 -0.274 29.056 {o lys 48}37.856 -0.848 29.633 {c lys 48}P 38.766 -0.274 29.056 {n ala 49}39.310 -0.785 27.970 {ca ala 49}38.771 -1.972 27.373 {c ala 49}39.020 -3.246 28.148 {o ala 49}38.180 -4.135 28.163 {c ala 49}P 39.020 -3.246 28.148 {n ile 50}40.169 -3.334 28.790 {ca ile 50}40.617 -4.546 29.519 {c ile 50}40.300 -4.524 31.015 {o ile 50}40.104 -5.558 31.641 {c ile 50}P 40.300 -4.524 31.015 {n gly 51}40.245 -3.327 31.571 {ca gly 51}39.925 -3.174 32.974 {ca arg 52}43.557 -3.029 34.026 {ca asn 53}46.671 -0.929 33.530 {ca cys 54}48.190 -2.660 30.650 {ca asn 55}50.925 -0.307 29.703 {ca gly 56}50.289 -1.153 25.942 {ca val 57}50.493 -4.858 26.299 {ca ile 58}47.956 -7.653 26.792 {ca thr 59}47.911 -11.480 27.139 {c thr 59}47.056 -12.082 26.011 {o thr 59}46.131 -11.482 25.501 {c thr 59}P 47.056 -12.082 26.011 {n lys 60}47.356 -13.317 25.648 {ca lys 60}46.635 -14.028 24.629 {c lys 60}45.135 -14.107 24.944 {o lys 60}44.274 -13.858 24.092 {c lys 60}P 45.135 -14.107 24.944 {n asp 61}44.851 -14.480 26.191 {ca asp 61}43.522 -14.589 26.740 {c asp 61}42.705 -13.317 26.574 {o asp 61}41.535 -13.372 26.168 {c asp 61}P 42.705 -13.317 26.574 {n glu 62}43.334 -12.173 26.912 {ca glu 62}42.722 -10.856 26.808 {c glu 62}42.413 -10.542 25.348 {o glu 62}41.352 -10.024 25.029 {c glu 62}P 42.413 -10.542 25.348 {n ala 63}43.361 -10.922 24.447 {ca ala 63}43.146 -10.696 23.041 {c ala 63}41.967 -11.514 22.543 {o ala 63}41.199 -11.039 21.689 {c ala 63}P 41.967 -11.514 22.543 {n glu 64}41.875 -12.766 23.048 {ca glu 64}40.805 -13.606 22.648 {c glu 64}39.466 -13.161 23.195 {o glu 64}38.407 -13.347 22.583 {c glu 64}P 39.466 -13.161 23.195 {n lys 65}39.484 -12.557 24.337 {ca lys 65}38.235 -12.058 24.891 {c lys 65}37.681 -10.886 24.065 {n leu 66}38.562 -9.908 23.754 {ca leu 66}38.179 -8.786 22.891 {c leu 66}37.636 -9.332 21.536 {o leu 66}36.642 -8.849 20.986 {c leu 66}P 37.636 -9.332 21.536 {n phe 67}38.330 -10.357 20.992 {ca phe 67}37.939 -10.963 19.758 {c phe 67}36.506 -11.535 19.856 {o phe 67}35.656 -11.304 18.991 {c phe 67}P 36.506 -11.535 19.856 {n asn 68}36.207 -12.302 20.906 {ca asn 68}34.867 -12.834 21.044 {c asn 68}33.824 -11.688 21.049 {o asn 68}32.758 -11.711 20.402 {c asn 68}P 33.824 -11.688 21.049 {n gln 69}34.138 -10.632 21.779 {ca gln 69}33.221 -9.474 21.837 {c gln 69}32.983 -8.827 20.490 {o gln 69}31.847 -8.468 20.180 {c gln 69}P 32.983 -8.827 20.490 {n asp 70}34.091 -8.640 19.737 {ca asp 70}34.026 -7.991 18.440 {c asp 70}33.218 -8.748 17.409 {o asp 70}32.480 -8.151 16.601 {c asp 70}P 33.218 -8.748 17.409 {n val 71}33.386 -10.096 17.437 {ca val 71}32.666 -10.982 16.489 {c val 71}31.147 -10.921 16.799 {o val 71}30.298 -10.698 15.916 {c val 71}P 31.147 -10.921 16.799 {n asp 72}30.829 -11.073 18.101 {ca asp 72}29.468 -10.984 18.571 {c asp 72}28.814 -9.649 18.182 {o asp 72}27.672 -9.580 17.660 {c asp 72}P 28.814 -9.649 18.182 {n ala 73}29.538 -8.567 18.444 {ca ala 73}29.053 -7.237 18.109 {c ala 73}28.838 -7.068 16.589 {o ala 73}27.864 -6.410 16.142 {c ala 73}P 28.838 -7.068 16.589 {n ala 74}29.770 -7.658 15.779 {ca ala 74}29.624 -7.566 14.295 {c ala 74}28.300 -8.282 13.876 {o ala 74}27.527 -7.731 13.128 {c ala 74}P 28.300 -8.282 13.876 {n val 75}28.070 -9.525 14.369 {ca val 75}26.855 -10.253 14.027 {c val 75}25.571 -9.473 14.393 {o val 75}24.655 -9.351 13.570 {c val 75}P 25.571 -9.473 14.393 {n arg 76}25.553 -8.943 15.639 {ca arg 76}24.463 -8.170 16.250 {c arg 76}24.212 -6.905 15.412 {o arg 76}23.081 -6.549 15.090 {c arg 76}P 24.212 -6.905 15.412 {n ala 77}25.275 -6.259 14.931 {ca ala 77}25.083 -5.115 14.091 {c ala 77}24.392 -5.485 12.781 {o ala 77}23.531 -4.766 12.286 {c ala 77}P 24.392 -5.485 12.781 {n ile 78}24.805 -6.575 12.162 {ca ile 78}24.157 -7.010 10.931 {c ile 78}22.651 -7.261 11.166 {o ile 78}21.814 -6.866 10.365 {c ile 78}P 22.651 -7.261 11.166 {n leu 79}22.318 -7.951 12.275 {ca leu 79}20.958 -8.319 12.571 {c leu 79}20.055 -7.169 12.868 {o leu 79}18.870 -7.285 12.630 {c leu 79}P 20.055 -7.169 12.868 {n arg 80}20.635 -6.082 13.386 {ca arg 80}19.930 -4.833 13.714 {c arg 80}19.896 -3.880 12.535 {o arg 80}19.218 -2.859 12.555 {c arg 80}P 19.896 -3.880 12.535 {n asn 81}20.651 -4.156 11.510 {ca asn 81}20.671 -3.210 10.444 {c asn 81}19.654 -3.532 9.345 {o asn 81}19.586 -4.640 8.816 {c asn 81}P 19.654 -3.532 9.345 {n ala 82}18.837 -2.573 8.980 {ca ala 82}17.805 -2.855 7.987 {c ala 82}18.308 -3.173 6.598 {o ala 82}17.635 -3.846 5.822 {c ala 82}P 18.308 -3.173 6.598 {n lys 83}19.499 -2.726 6.276 {ca lys 83}20.016 -3.022 4.977 {c lys 83}20.753 -4.330 4.960 {o lys 83}20.833 -5.000 3.944 {c lys 83}P 20.753 -4.330 4.960 {n leu 84}21.374 -4.651 6.082 {ca leu 84}22.204 -5.848 6.148 {c leu 84}21.468 -7.153 6.458 {o leu 84}21.807 -8.204 5.937 {c leu 84}P 21.468 -7.153 6.458 {n lys 85}20.520 -7.096 7.361 {ca lys 85}19.789 -8.261 7.807 {c lys 85}19.186 -9.118 6.701 {o lys 85}19.311 -10.317 6.705 {c lys 85}P 19.186 -9.118 6.701 {n pro 86}18.497 -8.492 5.781 {ca pro 86}17.880 -9.220 4.700 {c pro 86}18.914 -9.945 3.879 {o pro 86}18.678 -11.044 3.418 {c pro 86}P 18.914 -9.945 3.879 {n val 87}20.074 -9.321 3.655 {ca val 87}21.103 -10.025 2.868 {c val 87}21.631 -11.235 3.610 {o val 87}21.765 -12.339 3.115 {c val 87}P 21.631 -11.235 3.610 {n tyr 88}21.957 -11.010 4.848 {ca tyr 88}22.476 -12.059 5.727 {c tyr 88}21.531 -13.262 5.742 {o tyr 88}21.931 -14.430 5.563 {c tyr 88}P 21.531 -13.262 5.742 {n asp 89}20.251 -12.946 5.960 {ca asp 89}19.236 -13.998 6.018 {c asp 89}19.147 -14.774 4.727 {o asp 89}18.820 -15.954 4.735 {c asp 89}P 19.147 -14.774 4.727 {n ser 90}19.443 -14.125 3.613 {ca ser 90}19.350 -14.825 2.383 {c ser 90}20.513 -15.718 2.059 {o ser 90}20.427 -16.538 1.146 {c ser 90}P 20.513 -15.718 2.059 {n leu 91}21.646 -15.514 2.724 {ca leu 91}22.868 -16.247 2.378 {ca asp 92}24.204 -19.751 3.014 {ca ala 93}26.558 -20.437 6.014 {ca val 94}29.889 -19.833 4.232 {ca arg 95}28.815 -16.618 2.550 {ca arg 96}27.401 -15.390 5.866 {ca cys 97}31.028 -15.586 7.143 {ca ala 98}32.199 -13.360 4.266 {ca leu 99}29.702 -10.582 5.238 {ca ile 100}30.591 -10.818 8.858 {ca asn 101}34.299 -10.365 7.898 {ca met 102}33.514 -7.152 5.940 {ca val 103}31.505 -5.749 8.882 {ca phe 104}34.289 -6.559 11.347 {ca gln 105}36.841 -4.764 9.117 {ca met 106}34.913 -1.834 7.939 {ca gly 107}31.964 -1.308 10.237 {ca glu 108}28.186 -1.604 9.619 {ca thr 109}27.971 1.753 8.110 {ca gly 110}30.751 1.134 5.662 {ca val 111}29.311 -2.161 4.486 {ca ala 112}25.768 -0.857 4.277 {ca gly 113}27.213 1.659 1.784 {ca phe 114}27.858 -1.136 -0.760 {ca thr 115}24.263 -0.847 -2.025 {ca asn 116}24.707 -2.413 -5.493 {ca ser 117}26.849 -5.347 -4.316 {ca leu 118}24.360 -6.070 -1.515 {ca arg 119}21.520 -6.235 -4.065 {ca met 120}23.533 -8.640 -6.254 {ca leu 121}24.418 -10.894 -3.300 {ca gln 122}20.734 -11.009 -2.344 {ca gln 123}19.849 -11.985 -5.852 {ca lys 124}22.524 -14.653 -5.799 {ca arg 125}24.403 -13.243 -8.793 {ca trp 126}27.797 -14.354 -7.516 {ca asp 127}30.018 -13.423 -10.450 {ca glu 128}28.469 -10.017 -10.854 {ca ala 129}28.736 -9.234 -7.240 {ca ala 130}32.454 -10.223 -7.107 {ca val 131}33.187 -7.845 -9.940 {ca asn 132}31.228 -5.026 -8.261 {ca leu 133}32.832 -5.573 -4.878 {ca ala 134}36.318 -5.148 -6.453 {ca lys 135}35.557 -1.599 -7.555 {ca ser 136}36.112 -0.057 -4.151 {ca arg 137}38.762 1.665 -2.106 {ca trp 138}38.600 -1.451 0.205 {ca tyr 139}39.874 -3.733 -2.640 {ca asn 140}42.519 -1.240 -3.772 {ca gln 141}43.834 -0.706 -0.243 {c gln 141}44.344 -2.037 0.388 {o gln 141}45.472 -2.111 0.917 {c gln 141}P 44.344 -2.037 0.388 {n thr 142}43.505 -3.077 0.454 {ca thr 142}43.916 -4.359 1.051 {c thr 142}43.492 -5.425 0.089 {o thr 142}42.582 -6.192 0.359 {c thr 142}P 43.492 -5.425 0.089 {n pro 143}44.131 -5.449 -1.073 {ca pro 143}43.765 -6.394 -2.133 {c pro 143}43.821 -7.907 -1.802 {o pro 143}42.919 -8.620 -2.225 {c pro 143}P 43.821 -7.907 -1.802 {n asn 144}44.837 -8.413 -1.057 {ca asn 144}44.908 -9.844 -0.776 {c asn 144}43.778 -10.319 0.138 {o asn 144}43.190 -11.379 -0.051 {c asn 144}P 43.778 -10.319 0.138 {n arg 145}43.487 -9.505 1.138 {ca arg 145}42.403 -9.820 2.022 {c arg 145}41.041 -9.690 1.276 {o arg 145}40.128 -10.529 1.439 {c arg 145}P 41.041 -9.690 1.276 {n ala 146}40.852 -8.588 0.499 {ca ala 146}39.619 -8.387 -0.258 {c ala 146}39.385 -9.577 -1.209 {o ala 146}38.289 -10.092 -1.295 {c ala 146}P 39.385 -9.577 -1.209 {n lys 147}40.423 -10.021 -1.929 {ca lys 147}40.312 -11.152 -2.850 {c lys 147}39.863 -12.403 -2.124 {o lys 147}39.104 -13.202 -2.645 {c lys 147}P 39.863 -12.403 -2.124 {n arg 148}40.406 -12.618 -0.930 {ca arg 148}39.985 -13.810 -0.155 {c arg 148}38.483 -13.770 0.119 {o arg 148}37.773 -14.744 -0.085 {c arg 148}P 38.483 -13.770 0.119 {n val 149}38.006 -12.614 0.593 {ca val 149}36.577 -12.438 0.928 {c val 149}35.677 -12.552 -0.300 {o val 149}34.628 -13.193 -0.309 {c val 149}P 35.677 -12.552 -0.300 {n ile 150}36.117 -11.887 -1.345 {ca ile 150}35.412 -11.895 -2.600 {c ile 150}35.283 -13.318 -3.150 {o ile 150}34.208 -13.717 -3.617 {c ile 150}P 35.283 -13.318 -3.150 {n thr 151}36.372 -14.104 -3.095 {ca thr 151}36.344 -15.494 -3.574 {c thr 151}35.368 -16.324 -2.757 {o thr 151}34.736 -17.224 -3.264 {c thr 151}P 35.368 -16.324 -2.757 {n thr 152}35.269 -15.985 -1.484 {ca thr 152}34.354 -16.656 -0.596 {c thr 152}32.894 -16.387 -1.042 {o thr 152}32.058 -17.302 -1.057 {c thr 152}P 32.894 -16.387 -1.042 {n phe 153}32.602 -15.137 -1.445 {ca phe 153}31.256 -14.809 -1.879 {c phe 153}30.969 -15.417 -3.218 {o phe 153}29.859 -15.862 -3.530 {c phe 153}P 30.969 -15.417 -3.218 {n arg 154}32.003 -15.395 -4.034 {ca arg 154}31.910 -15.957 -5.366 {c arg 154}31.607 -17.465 -5.378 {o arg 154}30.701 -17.899 -6.086 {c arg 154}P 31.607 -17.465 -5.378 {n thr 155}32.361 -18.261 -4.599 {ca thr 155}32.249 -19.701 -4.614 {c thr 155}31.442 -20.345 -3.533 {o thr 155}31.026 -21.471 -3.663 {c thr 155}P 31.442 -20.345 -3.533 {n gly 156}31.297 -19.701 -2.432 {ca gly 156}30.576 -20.299 -1.364 {ca thr 157}33.531 -22.433 -0.287 {ca trp 158}36.587 -21.939 1.938 {ca asp 159}39.053 -22.397 -0.845 {ca ala 160}40.714 -18.947 -0.458 {ca tyr 161}41.653 -19.839 3.063 {ca lys 162}42.660 -23.507 2.658 {ca asn 163}45.892 -22.352 1.439 {ca leu 164}46.701 -20.150 4.430 @vectorlist {Hb} color= brown master= {Hbonds} {ala 63 hn} <2.069>P U 44.214 -11.359 24.733 {thr 59 o}U 45.556 -11.445 25.271 {glu 64 hn} <1.921>P U 42.540 -13.129 23.701 {lys 60 o}U 43.754 -13.639 23.975 {lys 65 hn} <2.020>P U 40.355 -12.446 24.815 {asp 61 o}U 41.181 -13.094 25.762 {leu 66 hn} <2.072>P U 39.494 -9.944 24.116 {glu 62 o}U 40.795 -10.000 24.755 {phe 67 hn} <2.094>P U 39.144 -10.722 21.444 {ala 63 o}U 40.583 -10.944 21.615 {asn 68 hn} <1.986>P U 36.899 -12.512 21.597 {glu 64 o}U 37.955 -13.097 22.287 {gln 69 hn} <2.056>P U 35.000 -10.634 22.286 {lys 65 o}U 36.046 -10.806 23.260 {asp 70 hn} <1.899>P U 34.983 -8.950 20.067 {leu 66 o}U 36.144 -8.879 20.710 {val 71 hn} <2.036>P U 34.007 -10.500 18.109 {phe 67 o}U 35.161 -11.063 18.726 {asp 72 hn} <2.080>P U 31.545 -11.253 18.776 {asn 68 o}U 32.394 -11.574 19.914 {ala 73 hn} <1.933>P U 30.432 -8.669 18.879 {gln 69 o}U 31.423 -8.528 19.790 {ala 74 hn} <1.981>P U 30.545 -8.149 16.177 {asp 70 o}U 31.899 -8.150 16.474 {val 75 hn} <1.967>P U 28.734 -9.961 14.977 {val 71 o}U 29.829 -10.477 15.634 {arg 76 hn} <2.016>P U 26.362 -9.089 16.208 {asp 72 o}U 27.279 -9.433 17.224 {ala 77 hn} <1.942>P U 26.204 -6.559 15.146 {ala 73 o}U 27.366 -6.455 15.843 {ile 78 hn} <2.141>P U 25.566 -7.099 12.545 {ala 74 o}U 26.939 -7.541 12.953 {leu 79 hn} <2.082>P U 23.025 -8.226 12.927 {val 75 o}U 24.166 -9.014 13.377 {arg 80 hn} <2.157>P U 21.619 -6.126 13.561 {arg 76 o}U 22.642 -6.422 14.631 {asn 81 hn} <2.261>P U 21.193 -4.995 11.473 {ile 78 o}U 21.628 -6.305 10.697 @subgroup {sidechain} @balllist {O} color= red radius= 0.150 {og ser 38}47.918 10.593 22.573 {od1 asn 144}48.564 -9.793 -0.867 @balllist {N} color= sky radius= 0.150 {nd2 asn 144}47.096 -10.233 -2.519 @vectorlist {mut sc} color= pink {ca ser 38}P 47.968 9.916 20.304 {cb ser 38}47.353 10.894 21.305 {og ser 38}47.918 10.593 22.573 {ca ala 82}P 17.805 -2.855 7.987 {cb ala 82}16.751 -1.762 7.881 {ca asn 144}P 44.908 -9.844 -0.776 {cb asn 144}46.273 -10.215 -0.174 {cg asn 144}47.410 -10.055 -1.220 {od1 asn 144}48.564 -9.793 -0.867 {cg asn 144}P 47.410 -10.055 -1.220 {nd2 asn 144}47.096 -10.233 -2.519 @vectorlist {mut sc} color= hotpink {ca ala 77}P 25.083 -5.115 14.091 {cb ala 77}26.403 -4.498 13.762 @vectorlist {sc} color= cyan master= {nearby sc} {ca ala 73}P 29.053 -7.237 18.109 {cb ala 73}30.082 -6.212 18.559 {ca ala 74}P 29.624 -7.566 14.295 {cb ala 74}30.788 -8.184 13.520 {ca arg 80}P 19.930 -4.833 13.714 {cb arg 80}20.605 -4.039 14.836 {cg arg 80}20.320 -4.646 16.205 {cd arg 80}20.772 -3.755 17.375 {ne arg 80}22.177 -3.971 17.762 {cz arg 80}23.267 -3.265 17.377 {nh1 arg 80}23.249 -2.200 16.552 {cz arg 80}P 23.267 -3.265 17.377 {nh2 arg 80}24.442 -3.660 17.855 {ca asn 81}P 20.671 -3.210 10.444 {cb asn 81}22.102 -3.123 9.934 {cg asn 81}22.207 -1.992 8.967 {od1 asn 81}21.612 -2.026 7.877 {cg asn 81}P 22.207 -1.992 8.967 {nd2 asn 81}22.936 -0.971 9.389 {ca lys 83}P 20.016 -3.022 4.977 {cb lys 83}21.014 -1.958 4.578 {cg lys 83}20.365 -0.786 3.894 {cd lys 83}20.254 0.402 4.816 {ce lys 83}19.588 1.585 4.123 {nz lys 83}20.476 2.766 3.980 {ca leu 84}P 22.204 -5.848 6.148 {cb leu 84}23.384 -5.640 7.123 {cg leu 84}24.323 -4.497 6.737 {cd1 leu 84}25.427 -4.356 7.774 {cg leu 84}P 24.323 -4.497 6.737 {cd2 leu 84}24.904 -4.705 5.352 {ca pro 86}P 17.880 -9.220 4.700 {cb pro 86}17.187 -8.189 3.802 {cg pro 86}17.333 -6.842 4.502 {cd pro 86}18.300 -7.022 5.645 {n pro 86}P 18.497 -8.492 5.781 {cd pro 86}18.300 -7.022 5.645 {ca val 87}P 21.103 -10.025 2.868 {cb val 87}22.253 -9.087 2.491 {cg1 val 87}23.289 -9.767 1.580 {cb val 87}P 22.253 -9.087 2.491 {cg2 val 87}21.686 -7.808 1.852 {ca glu 108}P 28.186 -1.604 9.619 {cb glu 108}27.319 -1.330 10.878 {cg glu 108}25.823 -1.313 10.636 {cd glu 108}25.026 -0.938 11.845 {oe1 glu 108}23.817 -0.856 11.826 {cd glu 108}P 25.026 -0.938 11.845 {oe2 glu 108}25.754 -0.721 12.907 @group {T4 A82P} dominant 2animate @vectorlist {mc} color= greentint {ca met 1}P 36.892 -23.543 8.992 {ca asn 2}34.761 -21.002 10.867 {ca ile 3}34.409 -17.234 11.334 {ca phe 4}36.991 -17.147 14.100 {ca glu 5}39.675 -19.031 12.176 {ca met 6}38.857 -16.962 9.144 {ca leu 7}39.311 -13.652 10.922 {ca arg 8}42.355 -14.883 12.734 {ca ile 9}44.031 -15.465 9.369 {ca asp 10}43.063 -12.069 8.025 {ca glu 11}43.907 -9.906 11.004 {ca gly 12}46.797 -11.728 12.722 {ca leu 13}47.470 -11.619 16.501 {ca arg 14}49.605 -8.913 18.128 {ca leu 15}49.985 -8.560 21.872 {ca lys 16}51.578 -5.049 21.810 {ca ile 17}49.763 -1.819 20.509 {ca tyr 18}50.320 -1.522 16.779 {ca lys 19}49.254 0.559 13.825 {ca asp 20}46.855 -0.948 11.427 {ca thr 21}46.991 -0.731 7.626 {ca glu 22}45.278 2.684 7.926 {ca gly 23}47.698 3.920 10.558 {ca tyr 24}45.344 3.469 13.486 {ca tyr 25}46.191 2.173 16.909 {ca thr 26}45.040 -1.454 17.247 {ca ile 27}45.800 -4.458 19.426 {ca gly 28}45.035 -8.219 19.521 {ca ile 29}43.075 -9.612 16.643 {ca gly 30}42.281 -6.480 14.681 {ca his 31}40.733 -4.691 17.739 {ca leu 32}40.706 -0.959 16.787 {ca leu 33}41.528 1.190 19.772 {ca thr 34}41.203 4.764 18.451 {ca lys 35}41.530 6.767 15.248 {c lys 35}42.416 7.964 15.574 {o lys 35}43.013 8.570 14.707 {c lys 35}P 42.416 7.964 15.574 {n ser 36}42.506 8.283 16.851 {ca ser 36}43.333 9.378 17.333 {c ser 36}44.837 9.085 17.220 {o ser 36}45.325 7.951 17.419 {c ser 36}P 44.837 9.085 17.220 {n pro 37}45.581 10.151 16.916 {ca pro 37}47.004 10.072 16.713 {c pro 37}47.830 9.893 17.961 {o pro 37}49.027 9.590 17.888 {c pro 37}P 47.830 9.893 17.961 {n ser 38}47.213 10.063 19.111 {ca ser 38}47.970 9.946 20.337 {c ser 38}48.060 8.533 20.895 {o ser 38}47.035 7.933 21.202 {c ser 38}P 48.060 8.533 20.895 {n leu 39}49.294 8.060 21.066 {ca leu 39}49.565 6.753 21.622 {c leu 39}49.039 6.739 23.030 {o leu 39}48.705 5.711 23.642 {c leu 39}P 49.039 6.739 23.030 {n asn 40}48.945 7.938 23.542 {ca asn 40}48.441 8.067 24.866 {c asn 40}46.952 7.863 24.878 {o asn 40}46.414 7.152 25.745 {c asn 40}P 46.952 7.863 24.878 {n ala 41}46.276 8.440 23.888 {ca ala 41}44.855 8.198 23.829 {c ala 41}44.597 6.690 23.659 {o ala 41}43.616 6.169 24.176 {c ala 41}P 44.597 6.690 23.659 {n ala 42}45.515 5.991 22.962 {ca ala 42}45.430 4.552 22.694 {c ala 42}45.617 3.729 23.935 {o ala 42}44.929 2.733 24.204 {c ala 42}P 45.617 3.729 23.935 {n lys 43}46.596 4.107 24.701 {ca lys 43}46.845 3.339 25.927 {c lys 43}45.696 3.499 26.924 {o lys 43}45.400 2.632 27.726 {c lys 43}P 45.696 3.499 26.924 {n ser 44}45.041 4.627 26.860 {ca ser 44}43.933 4.860 27.763 {c ser 44}42.692 4.039 27.347 {o ser 44}41.986 3.475 28.171 {c ser 44}P 42.692 4.039 27.347 {n glu 45}42.453 3.965 26.050 {ca glu 45}41.340 3.219 25.557 {c glu 45}41.560 1.748 25.864 {o glu 45}40.634 0.992 26.211 {c glu 45}P 41.560 1.748 25.864 {n leu 46}42.815 1.340 25.725 {ca leu 46}43.197 -0.023 25.992 {c leu 46}42.929 -0.444 27.422 {o leu 46}42.362 -1.508 27.701 {c leu 46}P 42.929 -0.444 27.422 {n asp 47}43.373 0.379 28.353 {ca asp 47}43.139 0.039 29.771 {c asp 47}41.658 0.011 30.133 {o asp 47}41.239 -0.751 31.002 {c asp 47}P 41.658 0.011 30.133 {n lys 48}40.914 0.904 29.460 {ca lys 48}39.473 1.005 29.622 {c lys 48}38.838 -0.291 29.104 {o lys 48}37.961 -0.844 29.743 {c lys 48}P 38.838 -0.291 29.104 {n ala 49}39.348 -0.797 27.976 {ca ala 49}38.814 -1.998 27.390 {c ala 49}39.071 -3.272 28.159 {o ala 49}38.227 -4.167 28.164 {c ala 49}P 39.071 -3.272 28.159 {n ile 50}40.229 -3.354 28.797 {ca ile 50}40.663 -4.552 29.538 {c ile 50}40.333 -4.502 31.022 {o ile 50}40.140 -5.528 31.687 {c ile 50}P 40.333 -4.502 31.022 {n gly 51}40.258 -3.291 31.548 {ca gly 51}39.937 -3.114 32.958 {ca arg 52}43.586 -3.038 34.018 {ca asn 53}46.712 -0.973 33.577 {ca cys 54}48.193 -2.671 30.671 {ca asn 55}50.922 -0.328 29.693 {ca gly 56}50.287 -1.127 25.949 {ca val 57}50.544 -4.814 26.362 {ca ile 58}48.006 -7.667 26.742 {ca thr 59}47.954 -11.462 27.119 {c thr 59}47.075 -12.055 26.016 {o thr 59}46.138 -11.409 25.533 {c thr 59}P 47.075 -12.055 26.016 {n lys 60}47.376 -13.314 25.656 {ca lys 60}46.648 -14.058 24.645 {c lys 60}45.168 -14.112 24.984 {o lys 60}44.301 -13.802 24.157 {c lys 60}P 45.168 -14.112 24.984 {n asp 61}44.905 -14.517 26.221 {ca asp 61}43.565 -14.615 26.748 {c asp 61}42.732 -13.338 26.569 {o asp 61}41.552 -13.397 26.175 {c asp 61}P 42.732 -13.338 26.569 {n glu 62}43.373 -12.191 26.892 {ca glu 62}42.772 -10.880 26.795 {c glu 62}42.469 -10.579 25.341 {o glu 62}41.411 -10.067 25.006 {c glu 62}P 42.469 -10.579 25.341 {n ala 63}43.413 -10.960 24.450 {ca ala 63}43.206 -10.718 23.045 {c ala 63}42.033 -11.520 22.527 {o ala 63}41.272 -11.047 21.689 {c ala 63}P 42.033 -11.520 22.527 {n glu 64}41.921 -12.751 23.023 {ca glu 64}40.849 -13.591 22.605 {c glu 64}39.520 -13.189 23.186 {o glu 64}38.468 -13.385 22.563 {c glu 64}P 39.520 -13.189 23.186 {n lys 65}39.534 -12.611 24.354 {ca lys 65}38.258 -12.152 24.901 {c lys 65}37.700 -10.971 24.068 {o lys 65}36.523 -10.922 23.683 {c lys 65}P 37.700 -10.971 24.068 {n leu 66}38.581 -10.017 23.762 {ca leu 66}38.219 -8.876 22.904 {c leu 66}37.699 -9.375 21.541 {o leu 66}36.743 -8.828 20.957 {c leu 66}P 37.699 -9.375 21.541 {n phe 67}38.335 -10.446 21.013 {ca phe 67}37.958 -10.992 19.750 {c phe 67}36.537 -11.564 19.848 {o phe 67}35.676 -11.344 19.001 {c phe 67}P 36.537 -11.564 19.848 {n asn 68}36.262 -12.311 20.900 {ca asn 68}34.921 -12.872 21.053 {c asn 68}33.881 -11.727 21.078 {o asn 68}32.816 -11.765 20.423 {c asn 68}P 33.881 -11.727 21.078 {n gln 69}34.183 -10.667 21.839 {ca gln 69}33.257 -9.521 21.899 {c gln 69}33.016 -8.885 20.577 {o gln 69}31.866 -8.502 20.309 {c gln 69}P 33.016 -8.885 20.577 {n asp 70}34.121 -8.697 19.809 {ca asp 70}34.027 -8.052 18.521 {c asp 70}33.235 -8.802 17.494 {o asp 70}32.507 -8.161 16.680 {c asp 70}P 33.235 -8.802 17.494 {n val 71}33.386 -10.168 17.502 {ca val 71}32.664 -11.007 16.512 {c val 71}31.161 -10.964 16.838 {o val 71}30.301 -10.822 15.967 {c val 71}P 31.161 -10.964 16.838 {n asp 72}30.879 -11.059 18.139 {ca asp 72}29.511 -11.002 18.632 {c asp 72}28.802 -9.694 18.277 {o asp 72}27.626 -9.658 17.833 {c asp 72}P 28.802 -9.694 18.277 {n ala 73}29.525 -8.606 18.483 {ca ala 73}29.010 -7.303 18.161 {c ala 73}28.803 -7.152 16.642 {o ala 73}27.841 -6.497 16.216 {c ala 73}P 28.803 -7.152 16.642 {n ala 74}29.693 -7.778 15.819 {ca ala 74}29.569 -7.671 14.339 {c ala 74}28.258 -8.375 13.904 {o ala 74}27.467 -7.844 13.150 {c ala 74}P 28.258 -8.375 13.904 {n val 75}28.057 -9.604 14.405 {ca val 75}26.859 -10.365 14.084 {c val 75}25.559 -9.609 14.471 {o val 75}24.640 -9.433 13.645 {c val 75}P 25.559 -9.609 14.471 {n arg 76}25.509 -9.151 15.751 {ca arg 76}24.368 -8.405 16.335 {c arg 76}24.157 -7.122 15.527 {o arg 76}23.056 -6.729 15.175 {c arg 76}P 24.157 -7.122 15.527 {n gly 77}25.255 -6.508 15.132 {ca gly 77}25.136 -5.339 14.323 {c gly 77}24.450 -5.665 13.003 {o gly 77}23.605 -4.920 12.541 {c gly 77}P 24.450 -5.665 13.003 {n ile 78}24.825 -6.771 12.349 {ca ile 78}24.183 -7.098 11.062 {c ile 78}22.694 -7.341 11.255 {o ile 78}21.860 -6.948 10.439 {c ile 78}P 22.694 -7.341 11.255 {n leu 79}22.375 -8.038 12.357 {ca leu 79}21.005 -8.438 12.631 {c leu 79}20.043 -7.330 12.912 {o leu 79}18.875 -7.528 12.661 {c leu 79}P 20.043 -7.330 12.912 {n arg 80}20.571 -6.197 13.413 {ca arg 80}19.851 -4.965 13.752 {c arg 80}19.889 -3.974 12.604 {o arg 80}19.291 -2.901 12.651 {c arg 80}P 19.889 -3.974 12.604 {n asn 81}20.642 -4.268 11.585 {ca asn 81}20.703 -3.304 10.548 {c asn 81}19.712 -3.646 9.462 {o asn 81}19.737 -4.738 8.927 {c asn 81}P 19.712 -3.646 9.462 {n pro 82}18.811 -2.727 9.155 {ca pro 82}17.771 -2.972 8.157 {c pro 82}18.319 -3.194 6.767 {o pro 82}17.694 -3.849 5.938 {c pro 82}P 18.319 -3.194 6.767 {n lys 83}19.508 -2.683 6.493 {ca lys 83}20.068 -2.927 5.188 {c lys 83}20.836 -4.229 5.125 {o lys 83}21.028 -4.810 4.069 {c lys 83}P 20.836 -4.229 5.125 {n leu 84}21.348 -4.649 6.260 {ca leu 84}22.188 -5.818 6.267 {c leu 84}21.479 -7.150 6.537 {o leu 84}21.812 -8.175 5.957 {c leu 84}P 21.479 -7.150 6.537 {n lys 85}20.540 -7.120 7.451 {ca lys 85}19.793 -8.285 7.879 {c lys 85}19.176 -9.141 6.773 {o lys 85}19.292 -10.355 6.801 {c lys 85}P 19.176 -9.141 6.773 {n pro 86}18.519 -8.511 5.810 {ca pro 86}17.896 -9.232 4.728 {c pro 86}18.943 -9.925 3.900 {o pro 86}18.738 -11.037 3.430 {c pro 86}P 18.943 -9.925 3.900 {n val 87}20.090 -9.269 3.717 {ca val 87}21.137 -9.943 2.939 {c val 87}21.648 -11.181 3.635 {o val 87}21.772 -12.241 3.043 {c val 87}P 21.648 -11.181 3.635 {n tyr 88}21.986 -11.005 4.903 {ca tyr 88}22.505 -12.089 5.754 {c tyr 88}21.518 -13.253 5.796 {o tyr 88}21.883 -14.413 5.595 {c tyr 88}P 21.518 -13.253 5.796 {n asp 89}20.249 -12.935 6.039 {ca asp 89}19.248 -14.014 6.071 {c asp 89}19.163 -14.759 4.726 {o asp 89}18.807 -15.955 4.701 {c asp 89}P 19.163 -14.759 4.726 {n ser 90}19.476 -14.087 3.594 {ca ser 90}19.347 -14.805 2.357 {c ser 90}20.524 -15.655 2.063 {o ser 90}20.464 -16.425 1.093 {c ser 90}P 20.524 -15.655 2.063 {n leu 91}21.617 -15.497 2.807 {ca leu 91}22.870 -16.237 2.467 {ca asp 92}24.206 -19.767 2.954 {ca ala 93}26.558 -20.476 5.919 {ca val 94}29.919 -19.840 4.255 {ca arg 95}28.852 -16.582 2.557 {ca arg 96}27.437 -15.448 5.836 {ca cys 97}31.023 -15.638 7.097 {ca ala 98}32.187 -13.398 4.265 {ca leu 99}29.715 -10.637 5.208 {ca ile 100}30.677 -10.873 8.833 {ca asn 101}34.363 -10.419 7.847 {ca met 102}33.554 -7.153 5.946 {ca val 103}31.553 -5.733 8.848 {ca phe 104}34.356 -6.548 11.288 {ca gln 105}36.923 -4.765 9.123 {ca met 106}34.944 -1.844 7.958 {ca gly 107}31.964 -1.368 10.283 {ca glu 108}28.187 -1.709 9.625 {ca thr 109}27.941 1.692 8.146 {ca gly 110}30.729 1.116 5.694 {ca val 111}29.346 -2.179 4.408 {ca ala 112}25.837 -0.822 4.293 {ca gly 113}27.230 1.688 1.795 {ca phe 114}27.909 -1.110 -0.734 {ca thr 115}24.308 -0.846 -2.006 {ca asn 116}24.708 -2.364 -5.455 {ca ser 117}26.856 -5.313 -4.327 {ca leu 118}24.428 -6.071 -1.476 {ca arg 119}21.583 -6.221 -4.038 {ca met 120}23.546 -8.611 -6.232 {ca leu 121}24.385 -10.903 -3.292 {ca gln 122}20.729 -10.968 -2.341 {ca gln 123}19.894 -11.931 -5.826 {ca lys 124}22.533 -14.632 -5.827 {ca arg 125}24.452 -13.197 -8.799 {ca trp 126}27.814 -14.361 -7.579 {ca asp 127}29.992 -13.380 -10.506 {ca glu 128}28.427 -9.987 -10.830 {ca ala 129}28.689 -9.171 -7.210 {ca ala 130}32.414 -10.205 -7.093 {ca val 131}33.256 -7.831 -9.930 {ca asn 132}31.257 -4.994 -8.289 {ca leu 133}32.849 -5.504 -4.866 {ca ala 134}36.346 -5.103 -6.449 {ca lys 135}35.570 -1.532 -7.541 {ca ser 136}36.168 -0.068 -4.145 {ca arg 137}38.783 1.693 -2.113 {ca trp 138}38.593 -1.438 0.157 {ca tyr 139}39.842 -3.686 -2.667 {ca asn 140}42.531 -1.198 -3.797 {ca gln 141}43.874 -0.632 -0.276 {c gln 141}44.367 -1.979 0.330 {o gln 141}45.494 -2.045 0.870 {c gln 141}P 44.367 -1.979 0.330 {n thr 142}43.503 -3.024 0.389 {ca thr 142}43.934 -4.321 0.993 {c thr 142}43.509 -5.407 0.056 {o thr 142}42.612 -6.189 0.387 {c thr 142}P 43.509 -5.407 0.056 {n pro 143}44.145 -5.421 -1.121 {ca pro 143}43.805 -6.352 -2.175 {c pro 143}43.858 -7.855 -1.843 {o pro 143}42.975 -8.600 -2.264 {c pro 143}P 43.858 -7.855 -1.843 {n asn 144}44.864 -8.339 -1.108 {ca asn 144}44.929 -9.785 -0.823 {c asn 144}43.795 -10.284 0.076 {o asn 144}43.223 -11.348 -0.125 {c asn 144}P 43.795 -10.284 0.076 {n arg 145}43.510 -9.521 1.109 {ca arg 145}42.387 -9.835 1.975 {c arg 145}41.027 -9.663 1.217 {o arg 145}40.084 -10.505 1.340 {c arg 145}P 41.027 -9.663 1.217 {n ala 146}40.875 -8.555 0.466 {ca ala 146}39.636 -8.373 -0.264 {c ala 146}39.416 -9.557 -1.204 {o ala 146}38.309 -10.070 -1.324 {c ala 146}P 39.416 -9.557 -1.204 {n lys 147}40.489 -10.012 -1.877 {ca lys 147}40.376 -11.132 -2.816 {c lys 147}39.910 -12.384 -2.134 {o lys 147}39.143 -13.166 -2.704 {c lys 147}P 39.910 -12.384 -2.134 {n arg 148}40.438 -12.621 -0.930 {ca arg 148}40.019 -13.824 -0.199 {c arg 148}38.512 -13.773 0.096 {o arg 148}37.799 -14.776 -0.068 {c arg 148}P 38.512 -13.773 0.096 {n val 149}38.031 -12.588 0.526 {ca val 149}36.606 -12.438 0.885 {c val 149}35.697 -12.533 -0.326 {o val 149}34.609 -13.158 -0.340 {c val 149}P 35.697 -12.533 -0.326 {n ile 150}36.184 -11.884 -1.363 {ca ile 150}35.478 -11.867 -2.625 {c ile 150}35.344 -13.286 -3.189 {o ile 150}34.292 -13.653 -3.678 {c ile 150}P 35.344 -13.286 -3.189 {n thr 151}36.414 -14.089 -3.123 {ca thr 151}36.340 -15.472 -3.635 {c thr 151}35.378 -16.321 -2.805 {o thr 151}34.764 -17.264 -3.297 {c thr 151}P 35.378 -16.321 -2.805 {n thr 152}35.288 -15.978 -1.527 {ca thr 152}34.392 -16.654 -0.610 {c thr 152}32.938 -16.365 -1.025 {o thr 152}32.083 -17.248 -1.027 {c thr 152}P 32.938 -16.365 -1.025 {n phe 153}32.658 -15.135 -1.446 {ca phe 153}31.300 -14.806 -1.867 {c phe 153}30.993 -15.414 -3.226 {o phe 153}29.851 -15.826 -3.547 {c phe 153}P 30.993 -15.414 -3.226 {n arg 154}32.042 -15.405 -4.060 {ca arg 154}31.930 -15.946 -5.404 {c arg 154}31.639 -17.459 -5.410 {o arg 154}30.731 -17.916 -6.098 {c arg 154}P 31.639 -17.459 -5.410 {n thr 155}32.414 -18.231 -4.623 {ca thr 155}32.294 -19.666 -4.606 {c thr 155}31.459 -20.296 -3.525 {o thr 155}31.018 -21.411 -3.674 {c thr 155}P 31.459 -20.296 -3.525 {n gly 156}31.311 -19.672 -2.406 {ca gly 156}30.556 -20.292 -1.377 {ca thr 157}33.544 -22.424 -0.308 {ca trp 158}36.588 -21.924 1.881 {ca asp 159}39.051 -22.390 -0.894 {ca ala 160}40.777 -18.963 -0.487 {ca tyr 161}41.703 -19.828 3.005 {ca lys 162}42.669 -23.487 2.615 {ca asn 163}45.903 -22.385 1.419 {ca leu 164}46.696 -20.169 4.402 @vectorlist {Hb} color= brown master= {Hbonds} {lys 85 hn} <1.927>P U 20.333 -6.237 7.873 {asn 81 o}U 19.916 -5.188 8.611 {tyr 88 hn} <2.028>P U 21.879 -10.088 5.288 {leu 84 o}U 21.832 -8.749 5.756 {asp 89 hn} <1.871>P U 19.990 -11.982 6.195 {lys 85 o}U 19.501 -10.843 6.619 {ser 90 hn} <2.351>P U 19.785 -13.136 3.593 {pro 86 o}U 19.052 -11.667 3.479 {leu 91 hn} <2.080>P U 21.578 -14.877 3.591 {tyr 88 o}U 21.792 -14.552 4.994 @subgroup {side ch} @vectorlist {mut sc} color= pink {ca ser 38}P 47.970 9.946 20.337 {cb ser 38}47.333 10.874 21.379 {og ser 38}47.894 10.537 22.665 {ca asn 144}P 44.929 -9.785 -0.823 {cb asn 144}46.294 -10.176 -0.236 {cg asn 144}47.434 -10.060 -1.275 {od1 asn 144}48.592 -9.858 -0.908 {cg asn 144}P 47.434 -10.060 -1.275 {nd2 asn 144}47.113 -10.188 -2.571 @labellist {mut G} color= pink { G} <77>25.136 -5.339 14.323 @vectorlist {mut sc} color= hotpink {ca pro 82}P 17.771 -2.972 8.157 {cb pro 82}16.863 -1.742 8.132 {cg pro 82}17.471 -0.737 9.100 {cd pro 82}18.687 -1.381 9.762 {n pro 82}P 18.811 -2.727 9.155 {cd pro 82}18.687 -1.381 9.762 @vectorlist {sc} color= cyan master= {nearby sc} {ca ala 73}P 29.010 -7.303 18.161 {cb ala 73}29.994 -6.230 18.634 {ca ala 74}P 29.569 -7.671 14.339 {cb ala 74}30.754 -8.308 13.594 {ca arg 80}P 19.851 -4.965 13.752 {cb arg 80}20.535 -4.223 14.905 {cg arg 80}20.218 -4.754 16.294 {cd arg 80}20.715 -3.801 17.396 {ne arg 80}22.126 -4.019 17.754 {cz arg 80}23.209 -3.290 17.407 {nh1 arg 80}23.195 -2.179 16.642 {cz arg 80}P 23.209 -3.290 17.407 {nh2 arg 80}24.377 -3.719 17.862 {ca asn 81}P 20.703 -3.304 10.548 {cb asn 81}22.135 -3.200 10.056 {cg asn 81}22.261 -2.026 9.134 {od1 asn 81}21.546 -1.962 8.139 {cg asn 81}P 22.261 -2.026 9.134 {nd2 asn 81}23.105 -1.060 9.496 {ca lys 83}P 20.068 -2.927 5.188 {cb lys 83}21.073 -1.863 4.821 {cg lys 83}20.423 -0.758 4.039 {cd lys 83}20.242 0.453 4.909 {ce lys 83}19.544 1.573 4.148 {nz lys 83}20.427 2.736 3.907 {ca leu 84}P 22.188 -5.818 6.267 {cb leu 84}23.382 -5.604 7.209 {cg leu 84}24.309 -4.463 6.804 {cd1 leu 84}25.362 -4.266 7.899 {cg leu 84}P 24.309 -4.463 6.804 {cd2 leu 84}24.978 -4.719 5.456 {ca pro 86}P 17.896 -9.232 4.728 {cb pro 86}17.154 -8.211 3.874 {cg pro 86}17.291 -6.869 4.581 {cd pro 86}18.356 -7.041 5.638 {n pro 86}P 18.519 -8.511 5.810 {cd pro 86}18.356 -7.041 5.638 {ca val 87}P 21.137 -9.943 2.939 {cb val 87}22.303 -9.008 2.614 {cg1 val 87}23.301 -9.680 1.645 {cb val 87}P 22.303 -9.008 2.614 {cg2 val 87}21.692 -7.727 1.992 {ca glu 108}P 28.187 -1.709 9.625 {cb glu 108}27.288 -1.441 10.851 {cg glu 108}25.980 -2.210 10.991 {cd glu 108}25.059 -1.673 12.082 {oe1 glu 108}24.028 -1.067 11.851 {cd glu 108}P 25.059 -1.673 12.082 {oe2 glu 108}25.434 -1.978 13.299 @kinemage 4 @caption (B&T Fig. 17.11, 17.12) Phage-display selected EMP1 (erythropoetin-mimic peptide) dimer (green and pink), bound to erythropoetin receptor (white and yellow). (from PDB file 1EBP) @onewidth @viewid {Fig. 17.12} @zoom 1.29 @zslab 200 @center 45.959 36.105 59.163 @matrix 0.07006 .997125 .028866 .063463 .024423 -.997685 -.995522 .07173 -.061569 @2viewid {pept dimer} @2zoom 4.03 @2zslab 200 @2center 65.281 38.710 59.757 @2matrix 0.033202 -.040752 .998618 .719927 .694036 .004386 -.693255 .718786 .052381 @3viewid {monomer} @3zoom 4.42 @3zslab 100 @3center 62.845 33.723 59.392 @3matrix 0.398217 .670948 -.625501 -.894456 .435228 -.102591 .203401 .600336 .773449 @4viewid {contact} @4zoom 3.84 @4zslab 200 @4center 59.484 38.784 55.656 @4matrix -0.009822 .87513 .483788 .285443 .466135 -.837401 -.958345 .129868 -.254379 @group {EpoRec a} dominant @vectorlist {mc} color= white {ca lys a 10}P 39.634 30.133 20.962 {ca phe a 11}36.868 32.588 22.026 {ca glu a 12}38.905 34.036 24.886 {ca ser a 13}41.903 34.094 22.571 {ca lys a 14}40.117 35.912 19.675 {ca ala a 15}38.375 38.188 22.194 {ca ala a 16}41.792 38.796 23.615 {ca leu a 17}43.007 39.467 20.042 {ca leu a 18}40.434 42.210 19.443 {ca ala a 19}40.925 43.941 22.789 {ca ala a 20}42.247 47.513 23.274 {ca arg a 21}45.789 48.669 24.078 {ca gly a 22}47.739 51.242 26.045 {ca pro a 23}51.271 52.542 25.119 {ca glu a 24}54.731 51.000 25.689 {ca glu a 25}55.358 49.952 29.291 {ca leu a 26}58.147 48.034 31.001 {ca leu a 27}56.613 44.996 32.719 {ca cys a 28}58.208 43.027 35.554 {ca phe a 29}56.817 40.403 37.943 {ca thr a 30}58.021 37.694 40.463 {ca glu a 31}56.378 34.219 40.786 {ca arg a 32}58.006 32.390 43.670 {ca leu a 33}60.084 34.736 45.716 {ca glu a 34}63.539 34.210 44.144 {ca asp a 35}62.981 35.244 40.483 {ca leu a 36}62.098 38.272 38.317 {ca val a 37}60.960 38.559 34.707 {ca cys a 38}60.831 41.886 32.832 {ca phe a 39}59.621 42.507 29.286 {ca trp a 40}58.084 44.996 26.846 {ca glu a 41}56.267 44.533 23.556 {ca glu a 42}56.426 46.399 20.211 {ca ala a 43}55.988 46.007 16.400 {ca ala a 44}57.928 43.514 14.208 {ca ser a 45}60.962 44.926 12.508 {ca ala a 46}63.041 44.134 9.469 {ca gly a 47}66.450 43.762 11.009 {ca val a 48}65.950 44.302 14.799 {ca gly a 49}66.948 41.798 17.393 {ca pro a 50}67.519 41.540 21.135 {ca gly a 51}71.059 42.792 20.477 {ca asn a 52}69.670 46.211 19.604 {ca tyr a 53}69.148 47.350 23.229 {ca ser a 54}70.977 46.921 26.501 {ca phe a 55}69.095 45.878 29.641 {ca ser a 56}70.854 46.862 32.818 {ca tyr a 57}69.915 46.856 36.495 {ca gln a 58}71.181 48.143 39.832 {ca leu a 59}70.183 46.435 43.038 {ca glu a 60}70.825 49.253 45.577 {ca asp a 61}74.540 49.431 46.502 {ca glu a 62}75.402 46.524 44.223 {ca pro a 63}77.069 47.740 40.959 {ca trp a 64}75.298 48.092 37.613 {ca lys a 65}74.909 44.793 35.803 {ca leu a 66}73.421 43.532 32.558 {ca cys a 67}70.688 41.090 31.708 {ca arg a 68}70.567 39.534 28.187 {ca leu a 69}67.428 39.983 26.131 {ca his a 70}65.448 37.374 24.296 {ca gln a 71}62.828 38.038 21.676 {ca ala a 72}59.540 36.163 21.222 {ca pro a 73}56.618 36.681 18.835 {ca thr a 74}53.304 37.789 20.338 {ca ala a 75}50.131 36.076 19.045 {ca arg a 76}49.107 39.552 17.744 {ca gly a 77}52.121 39.982 15.473 {ca ala a 78}54.158 42.210 17.759 {ca val a 79}57.546 41.178 19.192 {ca arg a 80}58.420 40.648 22.813 {ca phe a 81}61.688 41.481 24.488 {ca trp a 82}62.263 39.911 27.891 {ca cys a 83}65.024 38.749 30.282 {ca ser a 84}64.904 36.980 33.610 {ca leu a 85}67.115 38.209 36.457 {ca pro a 86}69.760 35.918 38.036 {ca thr a 87}68.793 34.399 41.394 {ca ala a 88}71.313 36.286 43.568 {ca asp a 89}69.633 39.470 42.397 {ca thr a 90}66.010 38.866 43.359 {ca ser a 91}66.264 40.434 46.877 {c ser a 91}65.008 41.265 47.033 {o ser a 91}64.779 42.197 46.263 {c ser a 91}P 65.008 41.265 47.033 {n ser a 92}64.287 41.029 48.125 {ca ser a 92}63.000 41.671 48.338 {ca phe a 93}63.132 44.847 50.366 {ca val a 94}65.542 47.054 48.410 {ca pro a 95}64.960 49.357 45.365 {ca leu a 96}65.776 47.852 41.957 {ca glu a 97}67.000 50.324 39.336 {ca leu a 98}65.954 49.400 35.821 {ca arg a 99}67.050 50.799 32.467 {ca val a 100}66.670 49.664 28.852 {ca thr a 101}68.768 51.483 26.193 {ca ala a 102}69.216 51.369 22.386 {ca ala a 103}72.520 50.004 21.021 {ca ser a 104}73.673 53.569 20.440 {ca gly a 105}73.002 54.747 23.976 {ca ala a 106}69.668 56.166 22.837 {ca pro a 107}67.354 56.019 25.882 {ca arg a 108}64.290 53.751 25.990 {ca tyr a 109}63.102 52.711 29.509 {ca his a 110}63.760 53.467 33.174 {ca arg a 111}61.716 52.116 36.112 {ca val a 112}62.493 51.471 39.822 {ca ile a 113}60.692 48.638 41.686 {ca his a 114}60.503 46.187 44.645 {ca ile a 115}60.261 42.495 43.871 {ca asn a 116}57.936 42.066 46.895 {ca glu a 117}55.480 44.614 45.438 {ca val a 118}55.226 42.839 42.137 {ca val a 119}54.155 39.276 42.896 {ca leu a 120}52.175 37.411 40.174 {ca leu a 121}51.629 33.924 41.552 {ca asp a 122}50.687 30.726 39.782 {ca ala a 123}47.107 29.562 40.010 {ca pro a 124}45.652 27.478 42.845 {ca val a 125}45.345 23.715 42.381 {ca gly a 126}43.230 20.735 43.494 {ca leu a 127}39.971 22.667 43.718 {ca val a 128}37.087 20.406 44.815 {ca ala a 129}33.430 21.061 45.579 {ca arg a 130}31.288 19.020 47.990 {ca leu a 131}27.813 18.909 49.460 {ca ala a 132}27.982 18.973 53.254 {ca asp a 133}25.433 16.209 53.733 {ca glu a 134}24.521 17.201 57.292 {ca ser a 135}23.550 20.874 56.536 {ca gly a 136}22.934 21.001 52.732 {ca his a 137}25.950 23.336 52.288 {ca val a 138}28.598 23.427 49.526 {ca val a 139}32.194 23.268 50.724 {ca leu a 140}35.027 24.306 48.384 {ca arg a 141}38.618 23.235 48.929 {ca trp a 142}41.941 23.846 47.182 {ca leu a 143}45.700 24.039 47.656 {ca pro a 144}48.027 26.996 47.295 {ca pro a 145}50.022 27.643 44.113 {ca pro a 146}52.462 24.665 43.857 {ca glu a 147}55.959 25.281 45.248 {ca thr a 148}55.048 28.776 46.541 {c thr a 148} 55.272, 28.818, 48.048 {o thr a 148} 54.609, 28.080, 48.789 {c thr a 148}P 55.272 28.818 48.048 {n pro a 149} 56.279 29.605 48.503 {ca pro a 149}56.623 29.757 49.926 {c pro a 149}55.742 30.869 50.498 {o pro a 149}55.080 31.600 49.737 {c pro a 149}P 55.742 30.869 50.498 {n met a 150}55.727 31.012 51.814 {ca met a 150}54.916 32.048 52.464 {c met a 150}53.411 31.927 52.169 {o met a 150}52.749 32.952 52.002 {c met a 150}P 53.411 31.927 52.169 {n thr a 151}52.878 30.696 52.239 {ca thr a 151}51.464 30.405 51.963 {c thr a 151}50.403 30.920 52.922 {o thr a 151}49.218 30.919 52.583 {c thr a 151}P 50.403 30.920 52.922 {n ser a 152}50.774 31.331 54.123 {ca ser a 152}49.755 31.831 55.041 {ca his a 153}50.070 35.291 53.485 {ca ile a 154}48.201 34.412 50.377 {ca arg a 155}44.638 35.649 49.910 {ca tyr a 156}42.077 33.927 47.651 {ca glu a 157}38.979 35.038 45.720 {ca val a 158}36.196 32.627 44.842 {ca asp a 159}34.147 33.012 41.672 {ca val a 160}30.582 31.642 41.535 {ca ser a 161}29.104 31.475 38.046 {ca ala a 162}25.642 29.728 37.689 {ca gly a 163}23.339 27.889 35.181 {ca asn a 164}21.854 28.783 31.766 {ca gly a 165}20.317 32.286 31.802 {ca ala a 166}20.922 32.503 35.546 {ca gly a 167}24.153 34.201 36.401 {ca ser a 168}24.531 37.386 38.331 {ca val a 169}28.135 38.032 39.184 {ca gln a 170}28.905 36.476 42.647 {ca arg a 171}32.477 36.643 44.094 {ca val a 172}33.816 35.727 47.565 {ca glu a 173}36.671 37.041 49.657 {ca ile a 174}38.557 34.406 51.669 {ca leu a 175}41.138 35.582 54.166 {ca glu a 176}44.842 34.765 53.946 {ca gly a 177}45.839 31.341 55.001 {ca arg a 178}42.398 29.882 54.316 {ca thr a 179}42.145 27.157 51.689 {ca glu a 180}38.469 26.188 52.162 {ca cys a 181}35.149 27.967 52.034 {ca val a 182}31.478 26.985 52.613 {ca leu a 183}28.921 28.515 50.338 {ca ser a 184}25.583 28.642 51.998 {ca asn a 185}22.479 29.998 50.338 {ca leu a 186}22.384 28.972 46.635 {ca arg a 187}19.371 27.749 44.576 {ca gly a 188}18.369 24.124 44.291 {ca arg a 189}18.891 21.885 41.239 {ca thr a 190}21.195 24.611 39.812 {ca arg a 191}24.621 24.018 38.253 {ca tyr a 192}27.380 25.971 39.901 {ca thr a 193}30.875 26.230 38.535 {ca phe a 194}33.487 27.571 40.967 {ca ala a 195}37.057 28.785 40.494 {ca val a 196}39.839 30.398 42.689 {ca arg a 197}42.687 32.860 42.129 {ca ala a 198}45.475 33.996 44.550 {ca arg a 199}47.250 37.171 45.694 {ca met a 200}50.015 38.096 48.197 {ca ala a 201}48.369 40.140 50.962 {ca glu a 202}49.336 43.527 52.421 {c glu a 202} 49.785, 43.317, 53.903 {o glu a 202} 49.394, 42.327, 54.561 {c glu a 202}P 49.785 43.317 53.903 {n pro a 203} 50.696 44.173 54.411 {ca pro a 203}51.322 45.290 53.714 {ca ser a 204}54.420 43.146 53.222 {ca phe a 205}53.901 42.074 49.624 {ca gly a 206}51.892 43.459 46.751 {ca gly a 207}51.122 42.534 43.176 {ca phe a 208}48.621 41.069 40.805 {ca trp a 209}45.766 38.625 41.073 {ca ser a 210}46.650 35.269 39.533 {ca ala a 211}44.895 33.423 36.757 {ca trp a 212}41.791 31.433 37.734 {ca ser a 213}42.222 27.747 38.642 {ca glu a 214}40.694 24.971 36.660 {ca pro a 215}37.068 24.965 38.059 {ca val a 216}34.669 22.346 39.434 {ca ser a 217}30.952 22.247 38.766 {ca leu a 218}28.223 20.981 41.102 {ca leu a 219}24.486 20.164 40.780 {ca thr a 220}23.057 21.472 44.068 @vectorlist {sc} color= cyan master= {contacts} off {ca leu a 33}P 60.084 34.736 45.716 {cb leu a 33}59.536 35.403 46.986 {cg leu a 33}58.323 36.310 46.699 {cd1 leu a 33}57.061 35.584 47.032 {cg leu a 33}P 58.323 36.310 46.699 {cd2 leu a 33}58.381 37.604 47.464 {ca ser a 91}P 66.264 40.434 46.877 {cb ser a 91}67.470 41.178 47.448 {og ser a 91}68.619 40.343 47.478 {ca ser a 92}P 63.000 41.671 48.338 {cb ser a 92}62.022 40.702 49.003 {og ser a 92}61.127 40.120 48.085 {ca val a 94}P 65.542 47.054 48.410 {cb val a 94}66.969 46.501 48.238 {cg1 val a 94}67.600 46.310 49.571 {cb val a 94}P 66.969 46.501 48.238 {cg2 val a 94}66.935 45.177 47.522 {ca pro a 149}P 56.623 29.757 49.926 {cb pro a 149}58.074 30.190 49.860 {cg pro a 149}58.050 31.144 48.698 {cd pro a 149}57.156 30.457 47.666 {n pro a 149}P 56.279 29.605 48.503 {cd pro a 149}57.156 30.457 47.666 {ca thr a 151}P 51.464 30.405 51.963 {cb thr a 151}51.157 28.902 51.799 {og1 thr a 151}51.581 28.183 52.955 {cb thr a 151}P 51.157 28.902 51.799 {cg2 thr a 151}51.821 28.347 50.609 {ca ser a 152}P 49.755 31.831 55.041 {cb ser a 152}50.178 31.598 56.476 {og ser a 152}51.027 32.645 56.893 {ca his a 153}P 50.070 35.291 53.485 {cb his a 153}51.479 35.883 53.275 {cg his a 153}52.310 35.975 54.526 {nd1 his a 153}52.781 34.868 55.197 {ce1 his a 153}53.540 35.254 56.204 {ne2 his a 153}53.573 36.570 56.215 {ce1 his a 153}53.540 35.254 56.204 {cg his a 153}P 52.310 35.975 54.526 {cd2 his a 153}52.810 37.048 55.182 {ne2 his a 153}53.573 36.570 56.215 {ce1 his a 153}53.540 35.254 56.204 {ca pro a 203}P 51.322 45.290 53.714 {cb pro a 203}51.339 46.367 54.782 {cg pro a 203}51.846 45.538 55.984 {cd pro a 203}51.150 44.143 55.820 {n pro a 203}P 50.696 44.173 54.411 {cd pro a 203}51.150 44.143 55.820 {ca ser a 204}P 54.420 43.146 53.222 {cb ser a 204}54.674 41.764 53.868 {og ser a 204}55.093 41.856 55.224 @vectorlist {sc} color= sky master= {contacts} off {ca phe a 93}P 63.132 44.847 50.366 {cb phe a 93}62.881 44.663 51.879 {cg phe a 93}61.836 43.585 52.207 {cd1 phe a 93}60.475 43.884 52.232 {ce1 phe a 93}59.520 42.881 52.478 {cz phe a 93}59.922 41.573 52.704 {cg phe a 93}P 61.836 43.585 52.207 {cd2 phe a 93}62.214 42.264 52.444 {ce2 phe a 93}61.260 41.265 52.689 {cz phe a 93}59.922 41.573 52.704 {ca met a 150}P 54.916 32.048 52.464 {cb met a 150}55.415 33.469 52.109 {cg met a 150}56.864 33.812 52.512 {sd met a 150}57.164 33.978 54.292 {ce met a 150}57.009 35.706 54.546 {ca phe a 205}P 53.901 42.074 49.624 {cb phe a 205}53.911 40.573 49.390 {cg phe a 205}55.073 39.862 50.052 {cd1 phe a 205}56.388 40.136 49.668 {ce1 phe a 205}57.452 39.449 50.237 {cz phe a 205}57.215 38.480 51.202 {cg phe a 205}P 55.073 39.862 50.052 {cd2 phe a 205}54.854 38.885 51.029 {ce2 phe a 205}55.921 38.198 51.599 {cz phe a 205}57.215 38.480 51.202 @vectorlist {cont Hb} off color= purple master= {contacts} {oh tyr d 4}P U 64.411 39.039 49.495 {n ser a 92} U 64.323 40.453 48.521 {ce1 his a 153}P U 53.871 34.983 56.758 {og1 thr c 12} U 54.567 34.415 57.922 {og ser a 152}P U 51.596 32.370 56.592 {o leu c 11} U 53.017 31.686 55.841 {o pro c 10}P U 54.037 28.810 52.929 {n 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163}19.936 42.775 79.047 {ca asn b 164}18.317 41.816 82.410 {ca gly b 165}17.918 38.123 83.294 {ca ala b 166}19.457 37.054 80.035 {ca gly b 167}22.941 36.058 81.159 {ca ser b 168}24.256 36.669 77.641 {ca val b 169}28.049 36.715 77.987 {ca gln b 170}28.193 36.009 74.245 {ca arg b 171}31.631 36.013 72.639 {ca val b 172}32.879 36.337 69.049 {ca glu b 173}36.437 35.666 67.911 {ca ile b 174}38.224 38.270 65.790 {ca leu b 175}41.000 37.737 63.251 {ca glu b 176}44.316 39.514 63.829 {ca gly b 177}45.121 43.103 63.145 {ca arg b 178}41.387 43.743 63.174 {ca thr b 179}40.027 46.552 65.390 {ca glu b 180}36.358 46.812 64.332 {ca cys b 181}33.382 44.462 64.498 {ca val b 182}29.818 45.174 63.511 {ca leu b 183}27.485 43.294 65.859 {ca ser b 184}25.003 43.521 63.028 {ca asn b 185}22.049 41.496 64.131 {ca leu b 186}20.583 41.260 67.649 {ca arg b 187}17.808 43.174 69.594 {ca gly b 188}15.699 46.342 70.105 {ca arg b 189}15.671 48.239 73.438 {ca thr b 190}18.272 46.077 75.158 {ca arg b 191}20.943 47.229 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c 11}P 54.346 30.580 56.002 {n thr c 12}55.390 30.898 56.741 {ca thr c 12}55.680 32.285 57.075 {c thr c 12}57.168 32.342 57.444 {o thr c 12}57.868 31.352 57.215 {c thr c 12}P 57.168 32.342 57.444 {n trp c 13}57.641 33.477 57.979 {ca trp c 13}59.050 33.653 58.382 {c trp c 13}59.605 32.619 59.389 {o trp c 13}58.931 32.186 60.359 {c trp c 13}P 59.605 32.619 59.389 {n val c 14}60.847 32.216 59.139 {ca val c 14}61.533 31.286 60.013 {c val c 14}62.637 32.192 60.499 {o val c 14}63.512 32.562 59.730 {c val c 14}P 62.637 32.192 60.499 {n cys c 15}62.516 32.672 61.724 {ca cys c 15}63.524 33.567 62.250 {c cys c 15}64.417 32.948 63.293 {o cys c 15}64.191 31.825 63.748 {c cys c 15}P 64.417 32.948 63.293 {n lys c 16}65.402 33.724 63.715 {ca lys c 16}66.381 33.242 64.650 {c lys c 16}67.141 34.482 65.092 {o lys c 16}67.193 35.468 64.359 {c lys c 16}P 67.141 34.482 65.092 {n pro c 17}67.592 34.516 66.355 {ca pro c 17}68.344 35.662 66.855 {c pro c 17}69.773 35.714 66.285 {o pro c 17}70.533 34.732 66.339 {c pro c 17}P 69.773 35.714 66.285 {n gln c 18}70.105 36.867 65.711 {ca gln c 18}71.418 37.137 65.144 {c gln c 18}72.273 37.386 66.360 {o gln c 18}71.906 38.237 67.174 @vectorlist {Hb 1} color= brown master= {mc Hbonds} {ser 5 hn} <1.608>P U 67.429 36.107 62.902 {lys 16 o}U 67.264 35.660 63.922 {his 7 hn} <2.417>P U 63.692 33.532 57.524 {val 14 o}U 63.566 32.853 59.068 {gly 9 hn} <2.435>P U 59.187 31.478 55.172 {thr 12 o}U 58.264 31.390 56.602 {val 14 hn} <2.238>P U 61.322 32.561 58.329 {his 7 o}U 61.664 32.861 56.830 {gln 18 hn} <1.973>P U 69.414 37.589 65.667 {thr 3 o}U 68.792 38.816 65.787 {o cys d 6}P U 65.351 41.000 63.081 {n tyr c 4}U 66.431 40.076 63.971 {o tyr c 4}P U 66.896 39.481 61.435 {n cys d 6}U 65.847 40.741 60.415 {o tyr d 4}P U 67.144 37.918 58.285 {n cys c 6}U 66.408 36.610 58.939 {o cys c 6}P U 66.104 36.157 56.108 {n tyr d 4}U 67.283 37.239 55.648 @vectorlist {sc} color= sea master= {side ch} off {ca thr c 3}P 67.750 41.604 65.597 {cb thr c 3}66.400 42.008 66.344 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