@text Kinemage Supplement to Branden & Tooze "Introduction to Protein Structure", Second Edition Chapter 8 - DNA RECOGNITION IN PROCARYOTES BY HELIX-TURN-HELIX MOTIFS Contents of file c8HthTF.kin: *{Kin 1}* Lambda Cro, & 5 helix-turn-helix motifs superimposed (Fig. 8.3-8.5) *{Kin 2}* Lambda repressor/DNA complex - overview of dimer (Fig. 8.6-8.9) *{Kin 3}* Lambda repressor/DNA - details of interactions (Fig. 8.14-8.17) *{Kin 4}* Animation of allosteric changes in Trp repressor (Fig. 8.18-8.20) *{Kin 5}* Lac repressor tetramer - core & 4-helix domains (Fig. 8.21,8.22) *{Kin 6}* PurR/guanine/DNA binding (Fig. 8.23) *{Kin 7}* CAP protein dimer vs CAP/DNA, animation (Fig. 8.24) *{Kinemage 1}* shows the Calpha backbone of a dimer of the lambda Cro protein, with each helix-turn-helix ("h-t-h") DNA-binding motif emphasized in skyblue and red, as in Fig. 8.4. The subunits dimerize through beta strands, making a 6-stranded antiparallel beta sheet, while the DNA-binding motifs are at opposite ends of the molecule. For the top motif, five other helix-turn-helix motifs (from lambda repressor, 434 cro, 434 repressor, CAP protein, and Trp repressor) are superimposed onto this one. Animate to see close-ups of these helix-turn-helix motifs. First you look down the second, "recognition", helix (red), with the first helix horizontal in the plane of the screen. Then you see the perpendicular view, looking down the first helix (approximately as in Fig. 8.3a). The 2 h-t-h helices are nearly perpendicular and touch only near their ends in an asymmetrical way, a rather unusual arrangement that is common to a large family of DNA-binding proteins and rare otherwise. It is reminiscent of the Ca++ binding "E-F hand" motifs, but the sequence runs in the opposite direction. *{Kinemage 2}* is an overview of the lambda repressor/DNA complex. The two protein subunits are in white with blue and red helix-turn-helix motifs, which bind in adjacent turns of the major groove. (There is another, C-terminal, domain in each subunit of the intact dimer molecule of repressor, which was not included in the crystal structure determination.) The DNA backbone is represented by virtual bonds from P to C4' to P (gold), the sugars with a branching virtual bond from C4' to C1' (gold), and each base pair with a shortened line (yellowtint) joining sugar C1' atoms across the double helix. In the start-up view, the DNA double-helix is angled so that you look down the major grooves in which the repressor mainly binds. There is a nearly-exact twofold symmetry between the two subunits of the lambda repressor dimer and between the two halves of the operator site on the DNA, but for subunit b the N-terminal tail is shown wrapped around the DNA (it includes 3 lysines) while residues 1-5 of subunit a were disordered in the crystal. Subunit b binds to the half of the DNA that has the consensus operator sequence, while the other half has a non-consensus sequence with 3 changes. The DNA is nearly standard B-form, but it is bent very slightly around the protein. View2 looks down the double helix from one end, with the repressor sitting on top. *{Kinemage 3}* shows some details of the interaction between lambda repressor and DNA, which is very similar to the 434 repressor/DNA shown in Fig. 7.16 and 7.17. Only interacting side chains are shown, on the b subunit. The base pairs are shown in full, but without the base-pair Hbonds and without an explicit connection to the DNA backbone; those that make interactions are color coded: G green, C yellow, A pink, and T blue, while the others are in gray. Gln 44, Ser 45, and Asn 55 of both repressor subunits, and Thr 2 and Lys 4 of subunit b, make specific H-bonds with bases in the major groove. View2 is a close-up of the Gln 44 interaction (similar to Fig. 8.15b), showing the H-bond network to Gln 33 and a phosphate O that helps determine the nature and orientation of hydrogen bonds to Adenine 4 on strand 2 of the DNA. View3 shows the double side-chain interaction of Asn 55 and Lys 4 with G 14 of strand 1, and also the H-bond between Thr 2 and G 10. View4 looks deep into the interface, to show how the methyl groups of Thymidines 5 and 15 (green atom balls) fit snugly in between hydrophobic side chains and up against the helix backbone at Gly 46 and Gly 48. View5 looks down the axis of helix 1 of the binding motif from its N-terminal end, in a region that is typical of the types of non-specific DNA-binding interactions made with the sugar-phosphate backbone. The N-terminus of the alpha helix interacts both by a specific H-bond to one of the free NH groups in the first turn (as in Fig. 8.16), and also by means of the helix dipole, which is appropriately positive at the N-terminus for interacting with the negatively-charged phosphates. That same phosphate group also has a salt link to a charged Lys side chain and an H-bond to a polar Tyr OH group. *{Kinemage 4}* shows the structure of Trp repressor and its allosteric conformational changes. First note the unusual organization of this all-helical protein, with an intertwining of two subunits each of which is non-compact alone (you can turn off one of the subunits to see the other one by itself). Animate to switch from the apo form (dark colors) to the Trp-liganded form (medium colors) to the DNA-complex form (light colors) which binds both Trp and the operon DNA (the 3 forms were superimposed using the lower halves of the structures). For the complexed structure, the helix-turn-helix motifs are shown with full main chain. The most important change is movement of the two helix-turn-helix motifs further apart: turn on "measures" on the Tools pulldown, and locate a Calpha that sticks out distinctively in the turn (such as Ile79). Click on the same Calpha in each of the two subunits for the apo structure to find their distance apart, then do the same for each of the 3 forms. That end of the two recognition helices is 36A apart in the complex, suitable for fitting in the DNA major groove one turn apart, while the distance is only 30A in the apo repressor. Turn on all three forms at once or in pairs to see this difference another way. Turn on the DNA and animate again, to see that the apo form could not bind: if the bottom half is oriented correctly the top half would intersect the DNA impossibly. Binding of Trp moves the helix-turn-helix "reading heads" most of the way apart. Turn off DNA, choose View2 for a close-up of the Trp site, and turn on all 3 forms to see that Trp binding wedges the two subunits apart somewhat - note especially the offset of the two green helices. Thus Trp binds preferentially to the more open conformation and acts as an allosteric effector to activate DNA binding. Turn on "binding" to see that the Trp is sandwiched between two Arg side-chains and also forms main-chain H-bonds. Just below the Trp is Ala77, the site of a mutant (Ala77Val) that activates repressor constitutively even in the absence of Trp. Temporarily turn on "mutant"; the Val side chain would clash with Thr53 in the more compact apo conformation, so it also tends to wedge the subunits apart and favor the active conformation. Now turn on just the DNA complex form, the DNA, and "binding". Choose View3 for a close-up of sequence-specific binding between the Arg69 guanidinium and the N7 and O6 of Guanine 2; the Arg is also oriented by a through-water H-bond to the neighboring phosphate. Choose View4 for a close-up of non-specific binding to DNA-backbone phosphates made by Arg and Thr side chains, main-chain NH, and even an H-bond from the Trp ligand. Choose View5 for a closeup of repressor-DNA binding (both specific and non-specific) through ordered water molecules, of which there are more cases for Trp repressor than for most other DNA complexes. *{Kinemage 5}* shows the core domains and 4-helix bundle domain for a tetramer of the lac repressor. Each of the tight dimers binds the palindromic lac operator sequence of DNA (as for PurR, shown in the next kinemage) with a pair of N-terminal domains not present here. The core domains (in greens and blues) are the regulating element that binds lactose, the co-repressor, whose presence allosterically changes the conformation to prevent DNA binding and to down-regulate expression of the lac operon. View2 shows those core domains from the side, with their hinged connections toward the center; they are both doubly-wound alpha/beta structures organized very like the arabinose-binding protein discussed in Chapter 6, and the lactose binds in the cleft between the two domains. Choose View3 and turn off "core domain 2", to see a close-up of the 4-helix bundle that holds the two dimers together into a tetramer. It is organized very much like the Rop protein helix-bundle in kinemage file c3Alpha.kin, with pairs of extremely close, regular alpha-helices joined by a wider hydrophobic core. Turn on "4-hlx sidech" to see the pairs of orange Ala between the closely-paired helices and the gold Leu and Val that form the wider central hydrophobic core, organized in very definite layers. The difference from ROP is that the close pair of helices are offset by half a turn, whereas in ROP they had adjacent turns aligned. *{Kinemage 6}* shows the PurR repressor binding to DNA; it is the primary regulator of purine synthesis and closely related to the lac repressor, but it is a dimer instead of a tetramer. The first three views show different orientations of the overall complex, showing the considerable bending of the DNA and the fact that PurR interacts with the minor as well as the major groove. View4 concentrates on the DNA-binding region, similar to Fig. 8.23, with each N-terminal domain putting a helix-turn-helix motif in the major groove and a fourth helix in the minor groove. View5 is a close-up of interactions in the minor groove, including the Leu side chains that wedge apart the two central G-C base pairs and the Lys making a specific interaction with N3 of an Adenine. View6 is a closeup of some of the helix-turn-helix DNA interactions, including nonspecific interactions of backbone NH and side-chain OHs with phosphate O and a sequence-specific double H-bond of Arg 26 (just past the helix-turn-helix) with N7 and O6 of a Guanine. View7 is a close-up of the regulatory purine binding site. It is sandwiched between aromatics and bound by several H-bonds, in the cleft between the two domains of the "core" region (the part that resembles arabinose-binding protein). Its binding changes the relative orientation of purR domains in such a way as to allosterically promote DNA binding. *{Kinemage 7}* shows the dimer of CAP protein ("gene activator protein", or "catabolite activator protein", or "cAMP-dependent repressor protein"). The protein dimerizes through interaction of two long helices at the interface, which form a parallel coiled-coil. Each subunit has a large domain with an 8-stranded Greek key beta barrel inside which the cAMP binds (purple), and a smaller domain that contains the helix-turn-helix DNA-binding motif. In the free form, the two subunits have rather different conformations, with the domains further apart in subunit b (greentint). All four chain termini were disordered in the complex, but three of them were ordered in the free form; those "tails" have been turned off for clarity. Animate to see the conformational change on binding to DNA. Most of the dimer stays the same (they were superimposed using the two long helices at the dimer interface), but the small domain of subunit 2 rotates inward (some atoms move by more than 10A), making the two subunits more equivalent. Choose View2 to emphasize the strong bend of the DNA. This DNA sequence is very AT-rich, and is believed to be bent in solution. In this complex, the protein and DNA make extensive interactions, over a wider interface than would be possible if the DNA were straight. The N-terminal end of the first helix (skyblue) of the h-t-h motif points at DNA backbone, while the N-terminal end of the second helix (red) points into the major groove (View3). Choose View4 and turn off "DNA" to concentrate on subunit b (greens) and see the relative domain motion of the conformational change. 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. 8.3-8.5) Lambda Cro protein - dimer, with helix-turn-helix ("h-t-h") motifs emphasized in skyblue and red. Animate for a tour of views, starting with a close-up of the helix-turn-helix in subunit o, looking down the second helix with the first helix horizontal in the plane of the screen, with 5 other h-t-h motifs superimposed. (from PDB files 1CRO, 1LRD, 2CRO, 1R69, 2GAP, 1TRO) @onewidth @viewid {Cro dimer} @zoom 1.00 @zslab 150 @ztran 0 @center -22.805 -37.033 -28.331 @matrix -0.463305 -0.360981 -0.809346 -0.788376 0.584993 0.190385 0.404736 0.726276 -0.555619 @2viewid {down hlx 2} @2zoom 1.77 @2zslab 150 @2center -34.580 -30.113 -18.415 @2matrix 0.465795 -0.879078 -0.101277 0.135102 -0.042461 0.989922 -0.874519 -0.474783 0.098987 @3viewid {down hlx 1} @3zoom 1.77 @3zslab 130 @3center -34.580 -30.113 -18.415 @3matrix 0.866213 0.178282 0.466787 -0.036132 -0.909389 0.414375 0.498367 -0.375803 -0.781283 @master {rest} @master {Lcro h-t-h} @master {Lrep h-t-h} @master {434cro h-t-h} @master {434rep h-t-h} @master {CAP h-t-h} @master {TrpRp h-t-h} @group {lambda Cro} animate moview= 1 @subgroup {sub o} dominant @vectorlist {ca-ca} color= white master= {rest} {ca met o 1}P -10.546 -31.594 -17.598 {"}-10.546 -31.594 -17.598 {ca glu o 2}-14.282 -31.313 -18.167 {ca gln o 3}-17.038 -32.941 -16.293 {ca arg o 4}-19.805 -34.669 -18.370 {ca ile o 5}-23.176 -35.450 -16.637 {ca thr o 6}-26.445 -36.795 -17.900 {ca leu o 7}-29.258 -34.194 -18.097 {ca lys o 8}-31.289 -36.184 -15.550 {ca asp o 9}-28.576 -36.314 -12.865 {ca tyr o 10}-27.735 -32.701 -13.242 {ca ala o 11}-31.242 -31.443 -12.972 {ca met o 12}-31.602 -33.653 -9.894 {ca arg o 13}-28.846 -32.180 -7.967 {ca phe o 14}-29.182 -28.666 -9.232 {ca gly o 15}-32.926 -28.419 -9.747 {ca gly o 37}P -35.731 -40.045 -21.877 {ca arg o 38}-33.503 -38.252 -24.503 {ca lys o 39}-29.788 -38.964 -24.270 {ca ile o 40}-28.527 -35.625 -23.348 {ca phe o 41}-25.224 -34.808 -21.596 {ca leu o 42}-24.219 -31.558 -20.035 {ca thr o 43}-20.525 -30.544 -20.216 {ca ile o 44}-19.153 -28.403 -17.455 {ca asn o 45}-15.879 -26.755 -18.342 {ca ala o 46}-13.124 -25.697 -15.899 {ca asp o 47}-14.661 -22.200 -15.662 {ca gly o 48}-18.140 -23.416 -14.811 {ca ser o 49}-19.553 -22.759 -18.208 {ca val o 50}-22.172 -25.427 -19.178 {ca tyr o 51}-23.209 -26.718 -22.636 {ca ala o 52}-25.467 -29.498 -23.814 {ca glu o 53}-25.600 -32.035 -26.581 {ca glu o 54}-27.736 -34.939 -27.593 {ca val o 55}-25.832 -38.126 -28.422 {ca lys o 56}-26.814 -40.942 -30.956 {ca pro o 57}-24.891 -43.976 -31.987 {ca phe o 58}-22.999 -44.390 -35.232 {ca pro o 59}-24.073 -46.201 -37.189 {ca ser o 60}-27.665 -45.779 -35.896 {ca asn o 61}-27.813 -49.388 -36.788 {ca lys o 62}-30.775 -51.578 -36.051 {ca lys o 63}-30.903 -51.039 -39.789 {ca thr o 64}-30.235 -52.897 -42.887 {ca thr o 65}-27.679 -55.277 -44.457 {ca ala o 66}-26.564 -56.825 -47.797 {arw}P -26.551 -43.059 -30.358 {ca pro o 57}-24.891 -43.976 -31.987 {arw}-25.338 -41.567 -32.486 {"}P -18.368 -26.520 -18.384 {ca asn o 45}-15.879 -26.755 -18.342 {arw}-16.946 -28.780 -17.337 {"}P -24.776 -34.945 -18.104 {ca thr o 6}-26.445 -36.795 -17.900 {arw}-24.547 -37.177 -16.318 @vectorlist {hlx 1 o} color= sky master= {Lcro h-t-h} {ca gly o 15}P -32.926 -28.419 -9.747 {ca gln o 16}-34.772 -27.785 -12.919 {ca thr o 17}-34.903 -24.028 -12.425 {ca lys o 18}-31.148 -23.670 -12.480 {ca thr o 19}-30.592 -26.317 -15.177 {ca ala o 20}-32.897 -24.274 -17.433 {ca lys o 21}-30.992 -21.007 -16.756 {ca asp o 22}-27.621 -22.746 -17.315 {ca leu o 23}-28.825 -24.040 -20.669 {ca gly o 24}-30.701 -20.936 -21.614 @vectorlist {turn o} color= white master= {Lcro h-t-h} {ca gly o 24}P -30.701 -20.936 -21.614 {ca val o 25}-34.150 -22.579 -22.281 {ca tyr o 26}-37.571 -22.379 -20.770 @vectorlist {hlx 2 o} color= red master= {Lcro h-t-h} {ca tyr o 26}P -37.571 -22.379 -20.770 {ca gln o 27}-37.999 -24.961 -17.921 {ca ser o 28}-40.604 -27.168 -19.557 {ca ala o 29}-38.080 -27.941 -22.222 {ca ile o 30}-35.828 -29.605 -19.577 {ca asn o 31}-38.725 -31.605 -18.170 {ca lys o 32}-39.930 -32.708 -21.504 {ca ala o 33}-36.492 -33.921 -22.621 {ca ile o 34}-36.264 -35.952 -19.396 {ca his o 35}-39.812 -37.306 -19.618 {ca ala o 36}-38.899 -38.363 -23.129 {ca gly o 37}-35.731 -40.045 -21.877 @subgroup {sub b} dominant @vectorlist {ca-ca} color= sea master= {rest} {ca met b 1}P -8.384 -42.826 -20.406 {ca glu b 2}-9.697 -42.363 -23.899 {ca gln b 3}-8.985 -40.500 -27.119 {ca arg b 4}-11.724 -38.805 -29.012 {ca ile b 5}-11.333 -37.555 -32.556 {ca thr b 6}-13.699 -36.411 -35.315 {ca leu b 7}-14.600 -38.850 -38.128 {ca lys b 8}-13.066 -36.541 -40.722 {ca asp b 9}-9.758 -36.188 -38.836 {ca tyr b 10}-9.636 -39.887 -38.098 {ca ala b 11}-10.160 -40.549 -41.774 {ca met b 12}-7.148 -38.254 -42.608 {ca arg b 13}-5.005 -39.985 -40.092 {ca phe b 14}-5.807 -43.642 -41.158 {ca gly b 15}-7.675 -43.585 -44.564 {ca gly b 37}P -21.063 -32.822 -42.669 {ca arg b 38}-22.311 -35.063 -39.822 {ca lys b 39}-20.902 -34.391 -36.358 {ca ile b 40}-19.447 -37.785 -35.623 {ca phe b 41}-16.827 -38.377 -32.914 {ca leu b 42}-15.017 -41.720 -32.520 {ca thr b 43}-13.867 -42.838 -29.080 {ca ile b 44}-10.729 -44.704 -28.857 {ca asn b 45}-10.490 -46.928 -25.771 {ca ala b 46}-7.143 -47.790 -24.157 {ca asp b 47}-7.629 -51.347 -25.391 {ca gly b 48}-7.858 -50.152 -29.062 {ca ser b 49}-11.543 -50.661 -29.488 {ca val b 50}-13.268 -47.898 -31.435 {ca tyr b 51}-16.816 -46.693 -31.310 {ca ala b 52}-18.541 -43.733 -32.900 {ca glu b 53}-21.318 -41.365 -31.929 {ca glu b 54}-23.172 -38.570 -33.539 {ca val b 55}-23.497 -35.397 -31.574 {ca lys b 56}-25.977 -32.564 -31.906 {ca pro b 57}-26.473 -29.552 -29.670 {ca phe b 58}-29.188 -28.895 -27.058 {ca pro b 59}-31.465 -26.934 -27.164 {ca ser b 60}-29.662 -26.365 -30.361 {ca asn b 61}-26.914 -24.789 -28.141 {ca lys b 62}-28.241 -21.216 -28.057 {ca lys b 63}-27.907 -17.413 -27.517 {ca thr b 64}-31.772 -17.241 -26.781 {ca thr b 65}-34.807 -19.727 -26.291 {ca ala b 66}-38.175 -19.760 -24.248 {arw}P -25.257 -30.444 -31.664 {ca pro b 57}-26.473 -29.552 -29.670 {arw}-27.152 -31.920 -30.097 {"}P -11.792 -35.740 -33.844 {ca thr b 6}-13.699 -36.411 -35.315 {arw}-13.062 -38.311 -33.821 {"}P -10.028 -44.652 -26.696 {ca asn b 45}-10.490 -46.928 -25.771 {arw}-11.209 -46.814 -28.163 @vectorlist {hlx 1 b} color= sky master= {Lcro h-t-h} {ca gly b 15}P -7.675 -43.585 -44.564 {ca gln b 16}-11.332 -44.669 -45.288 {ca thr b 17}-10.476 -48.349 -45.429 {ca lys b 18}-9.141 -48.596 -41.909 {ca thr b 19}-11.954 -46.319 -40.612 {ca ala b 20}-14.670 -48.545 -41.994 {ca lys b 21}-13.294 -51.695 -40.549 {ca asp b 22}-12.680 -50.119 -37.118 {ca leu b 23}-16.316 -49.000 -37.181 {ca gly b 24}-17.566 -52.186 -38.794 @vectorlist {turn b} color= sea master= {Lcro h-t-h} {ca gly b 24}P -17.566 -52.186 -38.794 {ca val b 25}-19.208 -50.404 -41.793 {ca tyr b 26}-18.403 -49.975 -45.435 @vectorlist {hlx 2 b} color= red master= {Lcro h-t-h} {ca tyr b 26}P -18.403 -49.975 -45.435 {ca gln b 27}-16.403 -47.177 -46.990 {ca ser b 28}-19.270 -45.514 -48.695 {ca ala b 29}-21.034 -45.093 -45.300 {ca ile b 30}-17.985 -43.333 -43.966 {ca asn b 31}-17.632 -41.196 -47.119 {ca lys b 32}-21.208 -40.196 -47.193 {ca ala b 33}-21.279 -39.169 -43.504 {ca ile b 34}-18.208 -36.973 -43.826 {ca his b 35}-19.451 -35.340 -47.055 {ca ala b 36}-22.872 -34.584 -45.529 {ca gly b 37}-21.063 -32.822 -42.669 @group {other 5} dominant @vectorlist {hlx 1} color= sky master= {Lrep h-t-h} {ca ser b 32}P -33.478 -27.908 -10.077 {ca gln b 33}-34.837 -28.063 -13.644 {ca glu b 34}-35.359 -24.371 -12.804 {ca ser b 35}-31.567 -23.816 -12.629 {ca val b 36}-30.409 -26.603 -14.969 {ca ala b 37}-32.584 -24.687 -17.478 {ca asp b 38}-30.975 -21.232 -17.081 {ca lys b 39}-27.557 -22.856 -17.592 {ca met b 40}-28.851 -24.091 -20.973 {ca gly b 41}-30.865 -21.075 -22.095 @vectorlist {turn} color= white master= {Lrep h-t-h} {ca gly b 41}P -30.865 -21.075 -22.095 {ca met b 42}-34.343 -22.658 -21.947 {ca gly b 43}-37.288 -22.872 -19.552 @vectorlist {hlx 2} color= red master= {Lrep h-t-h} {ca gly b 43}P -37.288 -22.872 -19.552 {ca gln b 44}-38.220 -25.536 -17.034 {ca ser b 45}-40.634 -27.095 -19.580 {ca gly b 46}-37.936 -27.467 -22.227 {ca val b 47}-35.725 -29.217 -19.658 {ca gly b 48}-38.863 -31.004 -18.454 {ca ala b 49}-39.524 -32.389 -21.956 {ca leu b 50}-35.974 -33.708 -22.119 {ca phe b 51}-36.035 -35.527 -18.773 {ca asn b 52}-39.453 -37.081 -19.540 {ca gly b 53}-39.254 -38.453 -23.119 @vectorlist {hlx 1} color= sky master= {434rep h-t-h} {ca asn 16 } P -32.849, -28.691 -10.016 {ca gln 17 } -34.641 -28.303 -13.389 {ca ala 18 } -35.005 -24.526 -13.061 {ca glu 19 } -31.273 -24.1 -12.449 {ca leu 20 } -30.372 -26.314 -15.403 {ca ala 21 } -32.802 -24.363 -17.648 {ca gln 22 } -31.156 -21.018 -16.752 {ca lys 23 } -27.647 -22.495 -17.278 {ca val 24 } -28.655 -23.818 -20.712 {ca gly 25 } -30.698 -20.678 -21.5 @vectorlist {turn} color= white master= {434rep h-t-h} {ca gly 25 }P -30.698 -20.678 -21.5 {ca thr 26 } -33.969 -22.5 -22.211 {ca thr 27 } -37.420 -22.825 -20.625 @vectorlist {hlx 2} color= red master= {434rep h-t-h} {ca thr 27 }P -37.420 -22.825 -20.625 {ca gln 28 } -38.284 -24.929 -17.571 {ca gln 29 } -40.757 -26.854 -19.781 {ca ser 30 } -38.032 -27.809 -22.314 {ca ile 31 } -36.043 -29.405 -19.483 {ca glu 32 } -39.131 -31.255 -18.248 {ca gln 33 } -39.879 -32.617 -21.717 {ca leu 34 } -36.319 -33.919 -22.118 {ca glu 35 } -36.451 -35.603 -18.683 {ca asn 36 } -39.848 -37.18 -19.506 {ca gly 37 } -38.502 -38.508 -22.838 @vectorlist {hlx 1} color= sky master= {434cro h-t-h} {ca thr 16} P -32.746 -28.545 -10.212 {ca gln 17} -34.509 -28.41 -13.608 {ca thr 18} -34.851 -24.665 -13.065 {ca glu 19} -31.175 -24.109 -12.468 {ca leu 20} -30.352 -26.317 -15.481 {ca ala 21} -32.757 -24.181 -17.526 {ca thr 22} -31.298 -20.844 -16.332 {ca lys 23} -27.658 -21.864 -16.968 {ca ala 24} -28.449 -23.293 -20.420 {ca gly 25} -30.755 -20.418 -21.290 @vectorlist {turn} color= white master= {434cro h-t-h} {ca gly 25}P -30.755 -20.418 -21.290 {ca val 26} -33.771 -22.541 -22.315 {ca lys 27} -37.318 -22.963 -21.013 @vectorlist {hlx 2} color= red master= {434cro h-t-h} {ca lys 27}P -37.318 -22.963 -21.013 {ca gln 28} -37.78 -25.077 -17.907 {ca gln 29} -40.678 -26.78 -19.751 {ca ser 30} -38.023 -27.851 -22.269 {ca ile 31} -36.129 -29.861 -19.662 {ca gln 32} -39.202 -31.618 -18.225 {ca leu 33} -40.173 -32.762 -21.739 {ca ile 34} -36.665 -34.098 -22.322 {ca glu 35} -36.519 -35.738 -18.888 {ca ala 36} -40.073 -37.087 -19.289 {ca gly 37} -38.851 -38.686 -22.552 @vectorlist {hlx 1} color= sky master= {CAP h-t-h} {ca thr a 168}P -34.014 -28.159 -9.884 {ca arg a 169}-35.010 -27.904 -13.517 {ca gln a 170}-35.086 -24.101 -13.053 {ca glu a 171}-31.326 -24.497 -12.579 {ca ile a 172}-30.729 -26.481 -15.810 {ca gly a 173}-32.623 -23.997 -18.011 {ca gln a 174}-30.658 -21.164 -16.452 {ca ile a 175}-27.487 -23.056 -17.379 {ca val a 176}-28.280 -24.309 -20.917 {ca gly a 177}-30.595 -21.675 -22.343 @vectorlist {turn} color= white master= {CAP h-t-h} {ca gly a 177}P -30.595 -21.675 -22.343 {ca cys a 178}-34.095 -23.045 -22.083 {ca ser a 179}-37.196 -23.100 -19.828 @vectorlist {hlx 2} color= red master= {CAP h-t-h} {ca ser a 179}P -37.196 -23.100 -19.828 {ca arg a 180}-38.303 -25.064 -16.767 {ca glu a 181}-40.851 -26.771 -19.090 {ca thr a 182}-38.834 -27.807 -22.167 {ca val a 183}-36.301 -29.215 -19.713 {ca gly a 184}-39.188 -31.264 -18.256 {ca arg a 185}-40.533 -32.142 -21.690 {ca ile a 186}-36.912 -33.308 -22.171 {ca leu a 187}-36.031 -34.820 -18.844 {ca lys a 188}-38.366 -37.773 -19.517 @vectorlist {hlx 1} color= sky master= {TrpRp h-t-h} {ca ser a 67}P -31.977 -28.900 -10.109 {ca gln a 68}-34.246 -28.403 -13.180 {ca arg a 69}-34.529 -24.630 -12.544 {ca glu a 70}-30.750 -24.510 -12.294 {ca leu a 71}-30.369 -26.326 -15.625 {ca lys a 72}-32.839 -23.977 -17.351 {ca asn a 73}-31.009 -20.842 -16.127 {ca glu a 74}-27.619 -22.222 -17.240 {ca leu a 75}-28.831 -22.926 -20.810 {ca gly a 76}-31.136 -19.933 -21.283 @vectorlist {turn} color= white master= {TrpRp h-t-h} {ca gly a 76}P -31.136 -19.933 -21.283 {ca ala a 77}-33.926 -22.520 -21.853 {ca gly a 78}-37.625 -22.701 -20.989 @vectorlist {hlx 2} color= red master= {TrpRp h-t-h} {ca gly a 78}P -37.625 -22.701 -20.989 {ca ile a 79}-38.321 -25.175 -18.149 {ca ala a 80}-40.795 -26.871 -20.549 {ca thr a 81}-37.807 -28.044 -22.721 {ca ile a 82}-36.184 -29.572 -19.618 {ca thr a 83}-39.558 -31.352 -18.932 {ca arg a 84}-39.586 -32.766 -22.458 {ca gly a 85}-36.117 -34.203 -21.732 {ca ser a 86}-37.350 -35.666 -18.432 {ca asn a 87}-40.490 -37.276 -19.849 {ca ser a 88}-38.513 -38.669 -22.803 {ca leu a 89}-35.885 -40.273 -20.529 @group {h-t-h, dwn2} dominant animate moview= 2 @vectorlist {h1o} instance= {hlx 1 o} master= {Lcro h-t-h} @vectorlist {t o} instance= {turn o} master= {Lcro h-t-h} @vectorlist {h2o} instance= {hlx 2 o} master= {Lcro h-t-h} @group {h-t-h, dwn1} dominant animate moview= 3 @vectorlist {h1o} instance= {hlx 1 o} master= {Lcro h-t-h} @vectorlist {t o} instance= {turn o} master= {Lcro h-t-h} @vectorlist {h2o} instance= {hlx 2 o} master= {Lcro h-t-h} @kinemage 2 @caption (B&T Fig. 7.8, 7.16) Complex of a lambda repressor dimer with DNA - simplified "virtual backbone" (gold) and base-pair lines (yellowtint) for the DNA, Calphas for the repressor, with the helix-turn-helix motifs highlighted in skyblue and red. View2 looks down the DNA axis. (from PDB file 1LRD) @onewidth @zoom 1.14 @zslab 140 @center 11.845 -7.539 7.61 @matrix -.686676 .152498 -.710788 .630607 -.361495 -.686772 -.361679 -.919818 .152063 @2zoom 1.4 @2zslab 260 @2matrix .594571 .603803 -.530949 .704786 -.709209 -.017282 -.386988 -.363931 -.847228 @group {DNA} @subgroup {strand 1} dominant @vectorlist {mc 1} color= gold {c4* a 1 1} P 32.187 -1.67 32.865 {p a 1 2} 32.632 -4.068 29.822 {c4* a 1 2} 29.73 -6.418 29.964 {p t 1 3} 27.177 -8.391 27.554 {c4* t 1 3} 24.159 -8.157 29.753 {p a 1 4} 20.618 -9.559 28.83 {c4* a 1 4} 18.105 -7.47 30.887 {p c 1 5} 14.104 -7.752 30.397 {c4* c 1 5} 13.049 -4.137 31.298 {p c 1 6} 9.322 -3.182 30.369 {c4* c 1 6} 9.808 0.687 29.919 {p a 1 7} 6.127 1.45 28.768 {c4* a 1 7} 6.891 4.268 26.414 {p c 1 8} 5.438 7.009 23.924 {c4* c 1 8} 7.879 7.044 21.137 {p t 1 9} 6.933 8.824 17.849 {c4* t 1 9} 9.56 7.676 15.17 {p g 1 10} 9.949 8.865 11.808 {c4* g 1 10} 12.476 6.577 9.979 {p g 1 11} 13.191 6.267 6.189 {c4* g 1 11} 12.088 2.433 6.126 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27.713 {c4* a 1 7} P 6.891 4.268 26.414 {c1* a 1 7} 8.193 4.048 24.493 {c4* c 1 8} P 7.879 7.044 21.137 {c1* c 1 8} 8.407 5.14 20.083 {c4* t 1 9} P 9.56 7.676 15.17 {c1* t 1 9} 9.322 5.408 14.663 {c4* g 1 10} P 12.476 6.577 9.979 {c1* g 1 10} 10.79 5.03 9.494 {c4* g 1 11} P 12.088 2.433 6.126 {c1* g 1 11} 9.76 2.144 6.075 {c4* c 1 12} P 11.246 -2.797 4.513 {c1* c 1 12} 8.926 -2.673 4.251 {c4* g 1 13} P 6.901 -6.528 2.992 {c1* g 1 13} 5.406 -5.003 2.08 {c4* g 1 14} P 2.238 -6.996 0.16 {c1* g 1 14} 1.516 -4.831 0.747 {c4* t 1 15} P -4.12 -5.931 0.866 {c1* t 1 15} -4.339 -3.951 -0.399 {c4* g 1 16} P -9.11 -3.457 -1.299 {c1* g 1 16} -8.232 -2.295 -3.123 {c4* a 1 17} P -11.48 0.852 -4.616 {c1* a 1 17} -9.974 0.694 -6.417 {c4* t 1 18} P -10.999 4.02 -9.677 {c1* t 1 18} -9.3 2.845 -10.497 {c4* a 1 19} P -7.521 6.405 -14.179 {c1* a 1 19} -7.424 4.405 -15.432 {c4* t 1 20} P -4.299 5.271 -19.091 {c1* t 1 20} -5.18 3.202 -19.781 @subgroup {strand 2} dominant @vectorlist {mc 2} color= gold {c4* t 2 1} P -10.271 -10.39 -19.724 {p a 2 2} -6.677 -11.662 -18.322 {c4* a 2 2} -3.957 -9.69 -19.957 {p t 2 3} -0.737 -9.14 -17.626 {c4* t 2 3} -0.239 -5.161 -17.809 {p a 2 4} 2.483 -3.292 -16.863 {c4* a 2 4} 1.102 0.131 -16.196 {p t 2 5} 2.865 3.285 -14.714 {c4* t 2 5} -0.074 4.625 -12.594 {p c 2 6} 0.932 7.449 -10.224 {c4* c 2 6} -2.553 7.236 -8.731 {p a 2 7} -3.077 9.683 -5.75 {c4* a 2 7} -5.605 8.288 -3.294 {p c 2 8} -5.593 9.525 0.547 {c4* c 2 8} -5.38 5.827 1.801 {p c 2 9} -5.014 5.766 5.733 {c4* c 2 9} -3.833 2.206 6.286 {p g 2 10} -4.03 1.67 9.751 {c4* g 2 10} -2.9 -1.986 9.802 {p c 2 11} -2.214 -4.639 12.572 {c4* c 2 11} 1.328 -5.546 11.557 {p c 2 12} 3.501 -7.834 13.694 {c4* c 2 12} 7.054 -6.673 12.486 {p a 2 13} 9.948 -8.143 14.264 {c4* a 2 13} 12.368 -6.109 12.321 {p g 2 14} 16.384 -5.855 13.09 {c4* g 2 14} 16.67 -2.027 13.575 {p t 2 15} 19.56 0.131 15.176 {c4* t 2 15} 17.604 3.34 15.905 {p g 2 16} 20.357 5.484 17.706 {c4* g 2 16} 18.292 7.346 20.288 {p g 2 17} 20.04 9.538 22.938 {c4* g 2 17} 17.624 8.803 25.764 {p t 2 18} 18.317 9.978 29.52 {c4* t 2 18} 16.533 6.989 31.19 {p a 2 19} 16.377 6.219 34.974 {c4* a 2 19} 15.586 2.426 35.31 {p t 2 20} 16.253 0.302 38.592 {c4* t 2 20} 17.84 -2.872 37.384 @vectorlist {sug 2} color= gold {c4* t 2 1} P -10.271 -10.39 -19.724 {1* t 2 1} -9.258 -8.459 -20.407 {c4* a 2 2} P -3.957 -9.69 -19.957 {c1* a 2 2} -4.463 -7.868 -18.584 {c4* t 2 3} P -0.239 -5.161 -17.809 {c1* t 2 3} -1.976 -4.061 -16.766 {c4* a 2 4} P 1.102 0.131 -16.196 {c1* a 2 4} -0.24 0.11 -14.287 {c4* t 2 5} P -0.074 4.625 -12.594 {c1* t 2 5} -0.659 3.113 -10.942 {c4* c 2 6} P -2.553 7.236 -8.731 {c1* c 2 6} -2.975 5.738 -7.044 {c4* a 2 7} P -5.605 8.288 -3.294 {c1* a 2 7} -4.24 6.666 -2.314 {c4* c 2 8} P -5.38 5.827 1.801 {c1* c 2 8} -3.579 4.46 1.715 {c4* c 2 9} P -3.833 2.206 6.286 {c1* c 2 9} -1.556 1.979 5.824 {c4* g 2 10} P -2.9 -1.986 9.802 {c1* g 2 10} -0.673 -1.649 9.483 {c4* c 2 11} P 1.328 -5.546 11.557 {c1* c 2 11} 2.913 -3.848 11.848 {c4* c 2 12} P 7.054 -6.673 12.486 {c1* c 2 12} 7.261 -4.666 13.683 {c4* a 2 13} P 12.368 -6.109 12.321 {c1* a 2 13} 12.436 -4.226 13.728 {c4* g 2 14} P 16.67 -2.027 13.575 {c1* g 2 14} 15.505 -1.313 15.432 {c4* t 2 15} P 17.604 3.34 15.905 {c1* t 2 15} 16.561 3.209 17.974 {c4* g 2 16} P 18.292 7.346 20.288 {c1* g 2 16} 18.185 5.772 22.014 {c4* g 2 17} P 17.624 8.803 25.764 {c1* g 2 17} 17.544 6.631 26.687 {c4* t 2 18} P 16.533 6.989 31.19 {c1* t 2 18} 17.71 4.982 31.076 {c4* a 2 19} P 15.586 2.426 35.31 {c1* a 2 19} 17.777 1.574 35.139 {c4* t 2 20} P 17.84 -2.872 37.384 {c1* t 2 20} 19.909 -2.508 36.62 @subgroup {base pairs} dominant @vectorlist {bp} color= yellowtint {c1* t 2 20} P U 20.899 -2.872 35.861 {c1* a 1 2} U 26.75 -5.024 31.373 {c1* t 1 3} P U 22.44 -5.182 30.408 {c1* a 2 19} U 18.417 0.647 34.49 {c1* t 2 18} P U 17.729 3.693 30.912 {c1* a 1 4} U 17.846 -4.16 29.912 {c1* c 1 5} P U 14.276 -1.369 29.449 {c1* g 2 17} U 17.076 5.485 27.083 {c1* c 1 6} P U 11.538 1.476 27.018 {c1* g 2 16} U 17.262 5.176 22.709 {c1* a 1 7} P U 9.215 3.945 23.697 {c1* t 2 15} U 15.539 3.312 18.77 {c1* c 1 8} P U 9.273 4.353 19.516 {c1* g 2 14} U 14.639 -0.526 15.999 {c1* a 2 13} P U 12.038 -2.994 13.848 {c1* t 1 9} U 9.72 4.176 14.543 {c1* c 2 12} P U 7.673 -3.534 13.194 {c1* g 1 10} U 10.378 3.898 9.983 {c1* g 1 11} P U 8.934 1.421 6.771 {c1* c 2 11} U 3.739 -3.125 11.152 {c1* c 1 12} P U 7.79 -2.552 4.87 {c1* g 2 10} U 0.463 -1.77 8.864 {c1* c 2 9} P U -0.698 1.118 5.363 {c1* g 1 13} U 4.548 -4.142 2.541 {c1* g 1 14} P U 0.894 -3.696 0.865 {c1* c 2 8} U -2.957 3.325 1.597 {c1* a 2 7} P U -4.252 5.387 -2.083 {c1* t 1 15} U -4.327 -2.672 -0.63 {c1* g 1 16} P U -7.573 -1.288 -3.615 {c1* c 2 6} U -3.634 4.731 -6.552 {c1* a 1 17} P U -8.835 0.99 -6.97 {c1* t 2 5} U -1.798 2.817 -10.389 {c1* a 2 4} P U -1.395 0.459 -13.804 {c1* t 1 18} U -8.145 2.496 -10.98 {c1* a 1 19} P U -6.727 3.321 -15.603 {c1* t 2 3} U -2.673 -2.977 -16.595 {c1* a 2 2} P U -4.547 -6.578 -18.723 {c1* t 1 20} U -5.096 1.912 -19.642 @group {Lambda repr} @subgroup {sub a} dominant @vectorlist {Calpha a} color= white master= {Calphas} {pro A 6} P 4.917 -12.878 21.502 {leu A 7} 7.171 -14.734 19.108 {thr A 8} 6.414 -18.341 18.088 {gln A 9} 7.434 -21.207 20.413 {glu A 10} 10.09 -22.093 17.832 {gln A 11} 11.194 -18.465 17.478 {leu A 12} 11.715 -18.403 21.262 {glu A 13} 13.803 -21.578 20.875 {asp A 14} 16.165 -20.176 18.196 {ala A 15} 16.942 -17.153 20.373 {arg A 16} 17.718 -19.297 23.411 {arg A 17} 20.008 -21.42 21.245 {leu A 18} 21.776 -18.444 19.615 {lys A 19} 22.289 -16.658 22.921 {ala A 20} 23.703 -19.833 24.488 {ile A 21} 26.38 -19.901 21.747 {tyr A 22} 27.191 -16.218 22.345 {glu A 23} 27.475 -16.967 26.083 {lys A 24} 29.83 -19.922 25.434 {lys A 25} 32.006 -18.101 22.858 {lys A 26} 32.166 -14.507 24.112 {asn A 27} 35.515 -14.665 25.987 {glu A 28} 37.252 -16.775 23.285 {leu A 29} 36.121 -14.472 20.47 {gly A 30} 36.102 -11.655 22.995 {leu A 31} 32.791 -9.958 22.191 {ser A 32} 29.905 -8.157 23.855 {gly A 53} P 13.698 -13.524 21.764 {ile A 54} 12.044 -10.116 21.604 {asn A 55} 12.523 -9.401 17.866 {ala A 56} 12.578 -12.122 15.182 {leu A 57} 15.764 -13.373 13.614 {asn A 58} 15.732 -13.414 9.796 {ala A 59} 18.04 -14.747 7.078 {tyr A 60} 20.378 -11.751 6.685 {asn A 61} 20.709 -11.174 10.469 {ala A 62} 20.979 -14.912 11.181 {ala A 63} 23.608 -15.256 8.446 {leu A 64} 25.61 -12.321 9.91 {leu A 65} 25.472 -13.813 13.409 {ala A 66} 26.622 -17.262 12.252 {lys A 67} 29.79 -15.696 10.771 {ile A 68} 30.543 -13.442 13.757 {leu A 69} 30.158 -16.328 16.213 {lys A 70} 32.033 -18.781 13.922 {val A 71} 28.93 -20.987 13.894 {ser A 72} 26.66 -22.375 11.158 {val A 73} 23.022 -21.138 11.101 {glu A 74} 21.825 -24.746 11.637 {glu A 75} 23.388 -24.732 15.136 {phe A 76} 20.933 -22.093 16.361 {ser A 77} 18.152 -21.929 13.774 {pro A 78} 17.263 -25.055 11.819 {ser A 79} 14.273 -23.289 10.201 {ile A 80} 16.057 -20.211 8.896 {ala A 81} 18.799 -22.561 7.676 {arg A 82} 16.212 -24.416 5.562 {glu A 83} 14.915 -21.09 4.331 {ile A 84} 18.416 -20.046 3.214 {tyr A 85} 19.029 -23.385 1.487 {glu A 86} 15.88 -22.76 -0.541 {met A 87} 16.859 -19.352 -1.892 {tyr A 88} 20.178 -20.719 -3.14 {glu A 89} 18.25 -23.434 -4.981 {ala A 90} 17.194 -20.458 -7.135 {val A 91} 20.709 -19.008 -7.562 {ser A 92} 22.349 -22.403 -8.001 @vectorlist {helix 1a} color= sky master= {hlx-t-hlx} {ser A 32} P 29.905 -8.157 23.855 {gln A 33} 26.433 -7.167 22.601 {glu A 34} 27.95 -3.807 21.764 {ser A 35} 30.775 -5.127 19.541 {val A 36} 28.611 -7.889 18.031 {ala A 37} 26.29 -4.996 17.205 {asp A 38} 28.639 -2.611 15.353 {lys A 39} 29.817 -5.511 13.17 {met A 40} 26.224 -6.137 12.247 {gly A 41} 25.718 -2.405 11.853 @vectorlist {turn a} color=white master= {hlx-t-hlx} {gly A 41} P 25.718 -2.405 11.853 {met A 42} 23.108 -1.945 14.578 {gly A 43} 23.049 -0.9 18.248 @vectorlist {helix 2a} color=red master= {hlx-t-hlx} {gly A 43} P 23.049 -0.9 18.248 {gln A 44} 23.566 -3.195 21.251 {ser A 45} 19.858 -2.982 22.163 {gly A 46} 18.963 -4.336 18.703 {val A 47} 21.163 -7.387 19.285 {gly A 48} 19.817 -7.82 22.835 {ala A 49} 16.296 -7.841 21.382 {leu A 50} 17.334 -10.7 19.068 {phe A 51} 19.257 -12.741 21.627 {asn A 52} 16.421 -12.39 24.146 {gly A 53} 13.698 -13.524 21.764 @subgroup {sub b} dominant @vectorlist {Calpha b} color= white master= {Calphas} {ser B 1} P 4.538 4.776 9.386 {thr B 2} 3.128 5.037 5.858 {lys B 3} 5.989 6.453 3.869 {lys B 4} 7.501 4.68 0.832 {lys B 5} 11.182 5.078 -0.04 {pro B 6} 12.365 5.669 -3.602 {leu B 7} 14.211 2.824 -5.345 {thr B 8} 17.924 2.763 -6.075 {gln B 9} 19.233 2.989 -9.637 {glu B 10} 20.342 -0.66 -9.437 {gln B 11} 17.076 -1.773 -7.745 {leu B 12} 15.168 -0.11 -10.583 {glu B 13} 17.307 -1.924 -13.164 {asp B 14} 16.785 -5.374 -11.603 {ala B 15} 13.045 -4.618 -11.797 {arg B 16} 13.284 -3.67 -15.495 {arg B 17} 15.316 -6.851 -16.071 {leu B 18} 12.563 -8.789 -14.184 {lys B 19} 9.659 -7.477 -16.299 {ala B 20} 11.752 -8.033 -19.433 {ile B 21} 12.101 -11.696 -18.436 {tyr B 22} 8.398 -11.999 -17.564 {glu B 23} 7.623 -10.432 -20.937 {lys B 24} 9.656 -12.919 -22.983 {lys B 25} 8.435 -15.998 -21.051 {lys B 26} 4.812 -15.008 -20.43 {asn B 27} 3.295 -16.878 -23.371 {glu B 28} 5.68 -19.86 -23.268 {leu B 29} 4.916 -20.369 -19.541 {gly B 30} 1.43 -18.925 -20.065 {leu B 31} 0.964 -16.562 -17.142 {ser B 32} -0.463 -13.297 -15.94 {gly B 53} P 9.952 -0.337 -9.756 {ile B 54} 7.446 0.818 -7.118 {asn B 55} 8.444 -1.745 -4.422 {ala B 56} 11.938 -3.312 -4.206 {leu B 57} 12.531 -7.058 -4.434 {asn B 58} 14.134 -8.975 -1.579 {ala B 59} 15.829 -12.39 -1.533 {tyr B 60} 12.626 -14.342 -0.809 {asn B 61} 10.6 -12.727 -3.579 {ala B 62} 13.504 -12.754 -6.012 {ala B 63} 13.932 -16.513 -5.351 {leu B 64} 10.162 -17.07 -5.551 {leu B 65} 10.004 -15.07 -8.81 {ala B 66} 12.983 -17.001 -10.298 {lys B 67} 11.518 -20.424 -9.557 {ile B 68} 8.165 -19.248 -11.016 {leu B 69} 9.785 -17.943 -14.23 {lys B 70} 11.962 -21.07 -14.429 {val B 71} 15.056 -18.857 -14.441 {ser B 72} 17.971 -17.97 -12.15 {val B 73} 18.137 -14.658 -10.252 {glu B 74} 21.664 -13.641 -11.386 {glu B 75} 19.718 -13.098 -14.606 {phe B 76} 17.615 -10.294 -13.136 {ser B 77} 19.639 -9.456 -10.018 {pro B 78} 23.389 -9.971 -9.699 {ser B 79} 23.525 -8.123 -6.343 {ile B 80} 20.69 -10.081 -4.724 {ala B 81} 22.162 -13.29 -6.138 {arg B 82} 25.515 -12.349 -4.559 {glu B 83} 23.586 -11.559 -1.345 {ile B 84} 21.998 -15.036 -1.294 {tyr B 85} 25.42 -16.623 -2.006 {glu B 86} 26.719 -14.665 0.992 {met B 87} 23.969 -15.998 3.305 {tyr B 88} 24.466 -19.578 2.086 {glu B 89} 28.158 -19.51 3.083 {ala B 90} 26.807 -19.324 6.662 {val B 91} 25.058 -22.684 6.257 {ser B 92} 27.897 -24.299 4.342 @vectorlist {helix 1b} color= sky master= {hlx-t-hlx} {ser B 32} P -0.463 -13.297 -15.94 {gln B 33} 0.382 -11.085 -12.942 {glu B 34} -3.066 -12.404 -11.95 {ser B 35} -1.681 -15.971 -11.665 {val B 36} 1.97 -15.173 -10.879 {ala B 37} 0.391 -13.407 -7.864 {asp B 38} -1.641 -16.355 -6.497 {lys B 39} 1.514 -18.499 -6.662 {met B 40} 3.155 -15.943 -4.337 {gly B 41} 0.26 -15.153 -2.012 @vectorlist {turn b} color=white master= {hlx-t-hlx} {gly B 41} P 0.26 -15.153 -2.012 {met B 42} -0.3 -11.517 -3.055 {gly B 43} -2.536 -9.525 -5.397 @vectorlist {helix 2b} color=red master= {hlx-t-hlx} {gly B 43} P -2.536 -9.525 -5.397 {gln B 44} -1.924 -8.288 -8.919 {ser B 45} -0.917 -4.852 -7.534 {gly B 46} 1.75 -6.315 -5.26 {val B 47} 3.194 -8.198 -8.246 {gly B 48} 2.547 -5.058 -10.298 {ala B 49} 4.666 -2.955 -7.91 {leu B 50} 7.514 -5.436 -8.229 {phe B 51} 7.579 -5.532 -12.036 {asn B 52} 7.386 -1.711 -12.258 {gly B 53} 9.952 -0.337 -9.756 @kinemage 3 @caption (B&T Fig. 7.16, 7.17) Lambda repressor/DNA complex - details of interaction. View1-4 show base-specific interactions, and View5 shows non-specific interactions with the phosphate backbone. (from PDB file 1LRD) @onewidth @zoom 1.30 @zslab 200 @ztran 0 @center 2.500 -1.300 -4.500 @matrix -0.670540 0.190179 -0.717083 0.664873 -0.274757 -0.694587 -0.329121 -0.942518 0.057789 @2viewid {Gln-Ade F8.15b} @2zoom 2.50 @2zslab 260 @2ztran 0 @2center -1.500 -5.500 -12.300 @2matrix -0.727978 0.222029 -0.648653 0.613338 -0.211879 -0.760870 -0.306374 -0.951741 0.018065 @3viewid {Thr2, Lys4 bdg} @3zoom 1.50 @3zslab 200 @3ztran 0 @3center 4.700 0.800 -2.100 @3matrix 0.923039 -0.167726 -0.346217 0.249139 -0.425118 0.870174 -0.293133 -0.889462 -0.350615 @4viewid {T methyl holes} @4zoom 2.20 @4zslab 200 @4ztran 0 @4center -0.100 -3.800 -3.000 @4matrix 0.817953 -0.099118 0.566682 -0.570183 -0.270573 0.775680 0.076447 -0.957584 -0.277831 @5viewid {nh-PO4 F8.16} @5zoom 2.67 @5zslab 210 @5ztran 0 @5center -0.700 -12.632 -12.000 @5matrix 0.448826 0.856408 -0.255186 0.853692 -0.326514 0.405705 0.264128 -0.399942 -0.877659 @master {DNA bkbone} @master {DNA bases} @group {DNA str 1} dominant 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8.879 {n1 g 1 11}5.832 1.031 9.204 {c2 g 1 11}6.816 0.234 8.702 {n2 g 1 11}6.695 -1.045 9.141 {c2 g 1 11}P 6.816 0.234 8.702 {n3 g 1 11}7.807 0.612 7.904 {c4 g 1 11}7.726 1.910 7.579 {c5 g 1 11}6.776 2.811 8.001 {c4 g 1 11}7.726 1.910 7.579 {n9 g 1 11}8.576 2.625 6.770 {c1* c 1 12}P 8.926 -2.673 4.251 {n1 c 1 12}8.041 -1.498 4.320 {c2 c 1 12}6.878 -1.656 5.049 {o2 c 1 12}6.679 -2.763 5.579 {c2 c 1 12}P 6.878 -1.656 5.049 {n3 c 1 12}6.018 -0.618 5.157 {c4 c 1 12}6.241 0.584 4.576 {n4 c 1 12}5.388 1.587 4.696 {c4 c 1 12}P 6.241 0.584 4.576 {c5 c 1 12}7.423 0.735 3.830 {c6 c 1 12}8.272 -0.302 3.738 {n1 c 1 12}P 8.041 -1.498 4.320 {c6 c 1 12}8.272 -0.302 3.738 {c1* g 1 13}P 5.406 -5.003 2.080 {n9 g 1 13}5.450 -3.573 1.807 {c8 g 1 13}6.311 -2.872 1.009 {n7 g 1 13}6.020 -1.594 0.940 {c5 g 1 13}4.884 -1.450 1.727 {c6 g 1 13}4.089 -0.330 2.069 {o6 g 1 13}4.246 0.845 1.675 {c6 g 1 13}P 4.089 -0.330 2.069 {n1 g 1 13}3.022 -0.612 2.906 {c2 g 1 13}2.766 -1.855 3.374 {n2 g 1 13}1.697 -2.000 4.166 {c2 g 1 13}P 2.766 -1.855 3.374 {n3 g 1 13}3.488 -2.927 3.100 {c4 g 1 13}4.524 -2.659 2.268 {c5 g 1 13}4.884 -1.450 1.727 {n9 g 1 13}P 5.450 -3.573 1.807 {c4 g 1 13}4.524 -2.659 2.268 {c1* a 1 17}P -9.974 0.694 -6.417 {n9 a 1 17}-8.894 -0.227 -6.816 {c8 a 1 17}-8.887 -1.594 -6.719 {n7 a 1 17}-7.772 -2.130 -7.169 {c5 a 1 17}-7.007 -1.065 -7.608 {c6 a 1 17}-5.720 -0.996 -8.161 {n6 a 1 17}-4.924 -2.027 -8.423 {c6 a 1 17}P -5.720 -0.996 -8.161 {n1 a 1 17}-5.277 0.261 -8.451 {c2 a 1 17}-6.031 1.354 -8.212 {n3 a 1 17}-7.249 1.347 -7.682 {c4 a 1 17}-7.685 0.110 -7.391 {c5 a 1 17}-7.007 -1.065 -7.608 {n9 a 1 17}P -8.894 -0.227 -6.816 {c4 a 1 17}-7.685 0.110 -7.391 {c5 a 1 17}-7.007 -1.065 -7.608 {c1* t 1 18}P -9.300 2.845 -10.497 {n1 t 1 18}-8.874 1.450 -10.742 {c2 t 1 18}-7.594 1.278 -11.221 {o2 t 1 18}-6.867 2.261 -11.437 {c2 t 1 18}P -7.594 1.278 -11.221 {n3 t 1 18}-7.208 -0.007 -11.460 {c4 t 1 18}-8.015 -1.086 -11.187 {o4 t 1 18}-7.521 -2.233 -11.455 {c4 t 1 18}P -8.015 -1.086 -11.187 {c5 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-0.798 {c2 t 1 15}P -3.476 -1.807 -1.271 {n3 t 1 15}-2.527 -1.113 -1.955 {c4 t 1 15}-1.434 -1.697 -2.496 {o4 t 1 15}-0.581 -0.969 -3.100 {c4 t 1 15}P -1.434 -1.697 -2.496 {c5 t 1 15}-1.279 -3.092 -2.359 {c5m t 1 15}-0.084 -3.793 -2.941 {n1 t 1 15}P -3.321 -3.168 -1.134 {c6 t 1 15}-2.203 -3.738 -1.670 {c5 t 1 15}P -1.279 -3.092 -2.359 {c6 t 1 15}-2.203 -3.738 -1.670 @group {DNA str 2} dominant @subgroup {sugar-phos} @vectorlist {virt. bb} color= gold master= {DNA bkbone} {o1p t 2 3}P -1.493 -9.483 -16.452 {p t 2 3}-0.737 -9.140 -17.626 {o2p t 2 3}0.410 -9.346 -18.510 {c4* a 2 2}P -3.957 -9.690 -19.957 {p t 2 3}-0.737 -9.140 -17.626 {c4* t 2 3}-0.239 -5.161 -17.809 {o3* t 2 3}1.563 -4.309 -16.264 {p a 2 4}2.483 -3.292 -16.863 {o1p a 2 4}3.528 -3.835 -15.769 {o2p a 2 4}P 3.104 -3.099 -18.116 {p a 2 4}2.483 -3.292 -16.863 {o5* a 2 4}1.512 -2.165 -16.304 {c4* a 2 4}1.102 0.131 -16.196 {p t 2 5}2.865 3.285 -14.714 {c4* t 2 5}-0.074 4.625 -12.594 {p c 2 6}0.932 7.449 -10.224 {c4* c 2 6}-2.553 7.236 -8.731 {p a 2 7}-3.077 9.683 -5.750 {c4* a 2 7}-5.605 8.288 -3.294 {p c 2 8}-5.593 9.525 0.547 {c4* c 2 8}-5.380 5.827 1.801 {p c 2 9}-5.014 5.766 5.733 {c4* c 2 9}-3.833 2.206 6.286 {p g 2 10}-4.030 1.670 9.751 {c4* g 2 10}-2.900 -1.986 9.802 {p c 2 11}-2.214 -4.639 12.572 {c4* c 2 11}1.328 -5.546 11.557 {p c 2 12}3.501 -7.834 13.694 @subgroup {no-con base} dominant @vectorlist {non-contact} color= gray master= {DNA bases} {c1* c 2 6}P -2.975 5.738 -7.044 {n1 c 2 6}-2.337 4.405 -6.987 {c2 c 2 6}-3.190 3.415 -6.497 {o2 c 2 6}-4.369 3.690 -6.223 {c2 c 2 6}P -3.190 3.415 -6.497 {n3 c 2 6}-2.674 2.165 -6.360 {c4 c 2 6}-1.389 1.876 -6.668 {n4 c 2 6}-0.994 0.605 -6.497 {c4 c 2 6}P -1.389 1.876 -6.668 {c5 c 2 6}-0.533 2.886 -7.152 {n1 c 2 6}P -2.337 4.405 -6.987 {c6 c 2 6}-1.042 4.123 -7.277 {c5 c 2 6}-0.533 2.886 -7.152 {c1* a 2 7}P -4.240 6.666 -2.314 {n9 a 2 7}-3.151 5.814 -2.764 {c8 a 2 7}-1.970 6.157 -3.374 {n7 a 2 7}-1.189 5.127 -3.636 {c5 a 2 7}-1.904 4.034 -3.146 {c6 a 2 7}-1.612 2.653 -3.094 {n6 a 2 7}-0.515 2.068 -3.550 {c6 a 2 7}P -1.612 2.653 -3.094 {n1 a 2 7}-2.583 1.869 -2.530 {c2 a 2 7}-3.744 2.385 -2.040 {n3 a 2 7}-4.074 3.683 -2.069 {c4 a 2 7}-3.104 4.439 -2.610 {c5 a 2 7}-1.904 4.034 -3.146 {n9 a 2 7}P -3.151 5.814 -2.764 {c4 a 2 7}-3.104 4.439 -2.610 {c1* c 2 8}P -3.579 4.460 1.715 {n1 c 2 8}-2.302 4.254 1.026 {c2 c 2 8}-1.913 2.934 0.861 {o2 c 2 8}-2.567 2.000 1.328 {c2 c 2 8}P -1.913 2.934 0.861 {n3 c 2 8}-0.748 2.708 0.194 {c4 c 2 8}-0.003 3.718 -0.319 {n4 c 2 8}1.127 3.381 -0.952 {n1 c 2 8}P -2.302 4.254 1.026 {c6 c 2 8}-1.578 5.285 0.490 {c5 c 2 8}-0.418 5.072 -0.177 {c4 c 2 8}-0.003 3.718 -0.319 {c1* c 2 9}P -1.556 1.979 5.824 {n1 c 2 9}-0.481 2.275 4.855 {c2 c 2 9}0.245 1.203 4.365 {o2 c 2 9}-0.001 0.041 4.673 {c2 c 2 9}P 0.245 1.203 4.365 {n3 c 2 9}1.272 1.457 3.510 {c4 c 2 9}1.615 2.708 3.117 {n4 c 2 9}2.648 2.838 2.280 {c4 c 2 9}P 1.615 2.708 3.117 {c5 c 2 9}0.892 3.807 3.624 {n1 c 2 9}P -0.481 2.275 4.855 {c6 c 2 9}-0.112 3.539 4.462 {c5 c 2 9}0.892 3.807 3.624 {c1* c 2 11}P 2.913 -3.848 11.848 {n1 c 2 11}2.994 -2.385 11.677 {c2 c 2 11}4.099 -1.890 11.004 {o2 c 2 11}4.955 -2.625 10.537 {c2 c 2 11}P 4.099 -1.890 11.004 {n3 c 2 11}4.213 -0.543 10.856 {c4 c 2 11}3.290 0.330 11.335 {n4 c 2 11}3.451 1.649 11.113 {c4 c 2 11}P 3.290 0.330 11.335 {c5 c 2 11}2.180 -0.172 12.036 {n1 c 2 11}P 2.994 -2.385 11.677 {c6 c 2 11}2.086 -1.498 12.167 {c5 c 2 11}2.180 -0.172 12.036 @subgroup {contct bases} dominant @vectorlist {G contact} color= sea master= {DNA bases} {c1* g 2 10}P -0.673 -1.649 9.483 {n9 g 2 10}0.345 -0.852 8.953 {c8 g 2 10}0.347 0.536 8.981 {n7 g 2 10}1.353 1.086 8.372 {c5 g 2 10}2.072 -0.007 7.881 {c6 g 2 10}3.266 -0.055 7.135 {o6 g 2 10}3.936 0.893 6.742 {c6 g 2 10}P 3.266 -0.055 7.135 {n1 g 2 10}3.701 -1.326 6.856 {c2 g 2 10}3.023 -2.426 7.249 {n2 g 2 10}3.599 -3.567 6.890 {c2 g 2 10}P 3.023 -2.426 7.249 {n3 g 2 10}1.887 -2.433 7.944 {c4 g 2 10}1.474 -1.182 8.235 {n9 g 2 10}P 0.345 -0.852 8.953 {c4 g 2 10}1.474 -1.182 8.235 {c5 g 2 10}2.072 -0.007 7.881 @vectorlist {A contact} color= pink master= {DNA bases} {c1* a 2 4}P -0.240 0.110 -14.287 {n9 a 2 4}-1.086 -0.852 -13.592 {c8 a 2 4}-0.840 -2.158 -13.295 {n7 a 2 4}-1.849 -2.769 -12.714 {c5 a 2 4}-2.828 -1.773 -12.611 {c6 a 2 4}-4.126 -1.794 -12.064 {n6 a 2 4}-4.698 -2.845 -11.500 {c6 a 2 4}P -4.126 -1.794 -12.064 {n1 a 2 4}-4.811 -0.625 -12.138 {c2 a 2 4}-4.265 0.495 -12.691 {n3 a 2 4}-3.046 0.550 -13.233 {c4 a 2 4}-2.376 -0.605 -13.147 {n9 a 2 4}P -1.086 -0.852 -13.592 {c4 a 2 4}-2.376 -0.605 -13.147 {c5 a 2 4}-2.828 -1.773 -12.611 @vectorlist {T contact} color= sky master= {DNA bases} {c1* t 2 3}P -1.976 -4.061 -16.766 {n1 t 2 3}-3.198 -4.329 -15.968 {c2 t 2 3}-4.001 -3.237 -15.706 {o2 t 2 3}-3.709 -2.123 -16.133 {c2 t 2 3}P -4.001 -3.237 -15.706 {n3 t 2 3}-5.119 -3.477 -14.982 {c4 t 2 3}-5.434 -4.714 -14.538 {o4 t 2 3}-6.491 -4.886 -13.865 {c4 t 2 3}P -5.434 -4.714 -14.538 {c5 t 2 3}-4.596 -5.821 -14.828 {c5m t 2 3}-4.981 -7.181 -14.304 {n1 t 2 3}P -3.198 -4.329 -15.968 {c6 t 2 3}-3.494 -5.580 -15.529 {c5 t 2 3}-4.596 -5.821 -14.828 {c1* t 2 5}P -0.659 3.113 -10.942 {n1 t 2 5}-0.985 1.766 -10.509 {c2 t 2 5}-2.311 1.581 -10.093 {o2 t 2 5}-3.067 2.543 -10.178 {c2 t 2 5}P -2.311 1.581 -10.093 {n3 t 2 5}-2.715 0.364 -9.642 {c4 t 2 5}-1.859 -0.694 -9.557 {o4 t 2 5}-2.296 -1.800 -9.118 {c4 t 2 5}P -1.859 -0.694 -9.557 {c5 t 2 5}-0.501 -0.502 -9.927 {c5m t 2 5}0.471 -1.642 -9.842 {n1 t 2 5}P -0.985 1.766 -10.509 {c6 t 2 5}-0.125 0.701 -10.406 {c5 t 2 5}-0.501 -0.502 -9.927 @group {L repr b} @subgroup {atom balls} dominant @balllist {N} color= blue radius= .1 {nz lys B 4} 4.677 0.838 -2.080 {nz lys B 26} 2.217 -10.047 -21.382 {n gln B 33} 0.046 -11.607 -14.270 {ne2 gln B 33} 2.654 -7.071 -14.549 {ne2 gln B 44} -1.527 -5.559 -12.281 {nd2 asn B 55} 5.067 -2.838 -3.226 {n7 a 2 4} -1.849 -2.769 -12.714 {n6 a 2 4} -4.698 -2.845 -11.500 {n7 g 1 14} 2.887 -2.048 -1.134 {n7 g 1 16} -5.058 -3.354 -4.559 @balllist {O} color= red radius= .1 {og1 thr B 2} 1.147 4.268 6.947 {oe1 gln B 33} 0.913 -6.817 -13.113 {oe1 gln B 44} -3.490 -5.477 -11.181 {og ser B 45} -2.667 -4.398 -5.853 {od1 asn B 55} 6.290 -1.148 -2.525 {oh tyr B 22} 2.040 -11.222 -17.153 {o1p t 2 3} -1.493 -9.483 -16.452 {o2p t 2 3} 0.410 -9.346 -18.510 {o3* t 2 3} 1.563 -4.309 -16.264 {o1p a 2 4} 3.528 -3.835 -15.769 {o6 g 1 14} 1.881 0.873 -1.111 @balllist {C} color= green radius= .1 {c5m t 1 15} -0.084 -3.793 -2.941 {c5m t 2 5} 0.471 -1.642 -9.842 @subgroup {Calphas} dominant @vectorlist {main ch} color= white {ser B 1}P 4.538 4.776 9.386 {thr B 2}3.128 5.037 5.858 {lys B 3}5.989 6.453 3.869 {lys B 4}7.501 4.680 0.832 {lys B 5}11.182 5.078 -0.040 {pro B 6}12.365 5.669 -3.602 {leu B 7}14.211 2.824 -5.345 {thr B 8}17.924 2.763 -6.075 {gln B 9}19.233 2.989 -9.637 {glu B 10}20.342 -0.660 -9.437 {gln B 11}17.076 -1.773 -7.745 {leu B 12}15.168 -0.110 -10.583 {glu B 13}17.307 -1.924 -13.164 {asp B 14}16.785 -5.374 -11.603 {ala B 15}13.045 -4.618 -11.797 {arg B 16}13.284 -3.670 -15.495 {arg B 17}15.316 -6.851 -16.071 {leu B 18}12.563 -8.789 -14.184 {lys B 19}9.659 -7.477 -16.299 {ala B 20}11.752 -8.033 -19.433 {ile B 21}12.101 -11.696 -18.436 {tyr B 22}8.398 -11.999 -17.564 {glu B 23}7.623 -10.432 -20.937 {lys B 24}9.656 -12.919 -22.983 {lys B 25}8.435 -15.998 -21.051 {lys B 26}4.812 -15.008 -20.430 {asn B 27}3.295 -16.878 -23.371 {glu B 28}5.680 -19.860 -23.268 {leu B 29}4.916 -20.369 -19.541 {gly B 30}1.430 -18.925 -20.065 {leu B 31}0.964 -16.562 -17.142 {ser B 32}-0.463 -13.297 -15.940 {gly B 41}P 0.260 -15.153 -2.012 {met B 42}-0.300 -11.517 -3.055 {gly B 43}-2.536 -9.525 -5.397 {gly B 53}P 9.952 -0.337 -9.756 {ile B 54}7.446 0.818 -7.118 {asn B 55}8.444 -1.745 -4.422 {ala B 56}11.938 -3.312 -4.206 {leu B 57}12.531 -7.058 -4.434 {asn B 58}14.134 -8.975 -1.579 @vectorlist {hlx 1} color= bluetint {ser B 32}P -0.463 -13.297 -15.940 {c ser B 32}-0.004 -12.892 -14.532 {o ser B 32}0.282 -13.820 -13.734 {c ser B 32}P -0.004 -12.892 -14.532 {n gln B 33}0.046 -11.607 -14.270 {gln B 33}0.382 -11.085 -12.942 {glu B 34}-3.066 -12.404 -11.950 {ser B 35}-1.681 -15.971 -11.665 {val B 36}1.970 -15.173 -10.879 {ala B 37}0.391 -13.407 -7.864 {asp B 38}-1.641 -16.355 -6.497 {lys B 39}1.514 -18.499 -6.662 {met B 40}3.155 -15.943 -4.337 {gly B 41}0.260 -15.153 -2.012 @vectorlist {hlx 2} color= pinktint {gly B 43}P -2.536 -9.525 -5.397 {gln B 44}-1.924 -8.288 -8.919 {ser B 45}-0.917 -4.852 -7.534 {gly B 46}1.750 -6.315 -5.260 {val B 47}3.194 -8.198 -8.246 {gly B 48}2.547 -5.058 -10.298 {ala B 49}4.666 -2.955 -7.910 {leu B 50}7.514 -5.436 -8.229 {phe B 51}7.579 -5.532 -12.036 {asn B 52}7.386 -1.711 -12.258 {gly B 53}9.952 -0.337 -9.756 @subgroup {side ch} dominant @vectorlist {side ch} color= yellowtint {ca thr B 2}P 3.128 5.037 5.858 {cb thr B 2}1.765 5.518 6.480 {og1 thr B 2}1.147 4.268 6.947 {cb thr B 2}P 1.765 5.518 6.480 {cg2 thr B 2}0.858 6.425 5.665 {ca lys B 4}P 7.501 4.680 0.832 {cb lys B 4}6.469 4.350 -0.194 {cg lys B 4}5.214 3.690 0.405 {cd lys B 4}5.070 2.254 -0.103 {ce lys B 4}4.934 2.240 -1.624 {nz lys B 4}4.677 0.838 -2.080 {ca tyr B 22}P 8.398 -11.999 -17.564 {cb tyr B 22}7.672 -11.291 -16.390 {cg tyr B 22}6.171 -11.270 -16.578 {cd1 tyr B 22}5.559 -10.239 -17.290 {ce1 tyr B 22}4.178 -10.184 -17.478 {cz tyr B 22}3.395 -11.215 -16.977 {oh tyr B 22}2.040 -11.222 -17.153 {cg tyr B 22}P 6.171 -11.270 -16.578 {cd2 tyr B 22}5.355 -12.273 -16.071 {ce2 tyr B 22}3.971 -12.260 -16.259 {cz tyr B 22}3.395 -11.215 -16.977 {ca lys B 26}P 4.812 -15.008 -20.430 {cb lys B 26}4.187 -13.627 -20.641 {cg lys B 26}2.655 -13.710 -20.578 {cd lys B 26}2.030 -12.321 -20.578 {ce lys B 26}2.689 -11.449 -21.638 {nz lys B 26}2.217 -10.047 -21.382 {ca gln B 33}P 0.382 -11.085 -12.942 {cb gln B 33}0.479 -9.566 -12.868 {cg gln B 33}1.424 -9.002 -13.911 {cd gln B 33}1.636 -7.518 -13.808 {oe1 gln B 33}0.913 -6.817 -13.113 {cd gln B 33}P 1.636 -7.518 -13.808 {ne2 gln B 33}2.654 -7.071 -14.549 {ca gln B 44}P -1.924 -8.288 -8.919 {cb gln B 44}-2.957 -8.143 -10.041 {cg gln B 44}-2.376 -7.573 -11.289 {cd gln B 44}-2.508 -6.116 -11.551 {oe1 gln B 44}-3.490 -5.477 -11.181 {cd gln B 44}P -2.508 -6.116 -11.551 {ne2 gln B 44}-1.527 -5.559 -12.281 {ca ser B 45}P -0.917 -4.852 -7.534 {cb ser B 45}-1.789 -3.883 -6.816 {og ser B 45}-2.667 -4.398 -5.853 {ca ala B 49}P 4.666 -2.955 -7.910 {cb ala B 49}4.315 -2.749 -6.434 {ca ile B 54}P 7.446 0.818 -7.118 {cb ile B 54}5.901 0.728 -7.306 {cg1 ile B 54}5.479 1.423 -8.634 {cd1 ile B 54}3.970 1.196 -8.981 {cb ile B 54}P 5.901 0.728 -7.306 {cg2 ile B 54}5.154 1.285 -6.081 {ca asn B 55}P 8.444 -1.745 -4.422 {cb asn B 55}7.383 -2.721 -3.938 {cg asn B 55}6.219 -2.185 -3.191 {od1 asn B 55}6.290 -1.148 -2.525 {cg asn B 55}P 6.219 -2.185 -3.191 {nd2 asn B 55}5.067 -2.838 -3.226 @labellist {G lbl} color= yellowtint { G}2.547 -5.058 -10.298 {"}1.750 -6.315 -5.260 @group {interaction} @subgroup {Hbonds} dominant @vectorlist {Hb} color= purple {nz lys B 26}P U 1.800 -9.885 -20.719 {o2p t 2 3}U 0.827 -9.508 -19.173 {oh tyr B 22}P U 1.579 -10.692 -17.536 {o2p t 2 3}U 0.871 -9.876 -18.127 {n gln B 33}P U -0.315 -11.109 -14.782 {o1p t 2 3}U -1.132 -9.981 -15.940 {ne2 gln B 44}P U -1.618 -4.774 -12.403 {n7 a 2 4}U -1.758 -3.554 -12.592 {oe1 gln B 44}P U -3.822 -4.754 -11.269 {n6 a 2 4}U -4.366 -3.568 -11.412 {ne2 gln B 44}P U -0.847 -5.910 -12.513 {oe1 gln B 33}U 0.233 -6.466 -12.881 {ne2 gln B 33}P U 2.850 -6.345 -14.823 {o1p a 2 4}U 3.332 -4.561 -15.495 {ne2 gln B 33}P U 2.399 -6.427 -14.949 {o3* t 2 3}U 1.818 -4.953 -15.864 {og ser B 45}P U -3.324 -4.111 -5.498 {n7 g 1 16}U -4.401 -3.641 -4.914 {nd2 asn B 55}P U 4.509 -2.636 -2.690 {n7 g 1 14}U 3.445 -2.250 -1.670 {od1 asn B 55}P U 5.793 -0.536 -2.388 {nz lys B 4}U 5.174 0.226 -2.217 {"}P U 3.921 0.847 -1.818 {o6 g 1 14}U 2.637 0.864 -1.373 {og1 thr B 2}P U 1.194 3.539 7.273 {n7 g 2 10}U 1.306 1.815 8.046 @kinemage 4 @caption Trp repressor conformational changes, from apo to liganded to DNA complex - animate, or turn on multiples together. Subunit a is in blues, subunit b in greens; ligand is in pinks; helix-turn-helix motifs have full main chain for the DNA complex. Turn on DNA and "binding" to study interactions. (from PDB files 1TRO, 2WRP, 3WRP) @onewidth @viewid {side} @zoom 1.1 @zslab 160 @center 24.441 9.411 14.052 @matrix -0.776702 -.488075 .398139 -.595736 .36399 -.715968 .204527 -.79328 -.573476 @2viewid {Trp site} @2zoom 2.48 @2zslab 154 @2center 24.156 4.003 23.22 @2matrix -0.62259 -.48163 .61678 -.57483 .81628 .05717 -.531 -.31895 -.78505 @3viewid {specific bdg} @3zoom 4.83 @3zslab 83 @3center 39.514 2.513 35.416 @3matrix 0.39695 -.8453 -.35762 -.82556 -.4991 .26334 -.40109 .1907 -.89597 @4viewid {non-spec bdg} @4zoom 4.24 @4zslab 94 @4center 28.209 5.816 20.268 @4matrix -0.819159 -.519357 .243402 -.480034 .388525 -.786522 .313917 -.761127 -.567573 @5viewid {thru-wat bdg} @5zoom 4.34 @5zslab 120 @5center 32.936 4.643 33.566 @5matrix 0.515523 .495735 -.698914 .65279 .301151 .695107 .555068 -.814588 -.168361 @master {binding} @master= {mutant} @group {TrpRepr apo} animate @subgroup {sub a} dominant @vectorlist {ca sub a} color= blue {ca ser 8}P 18.674 23.086 20.328 {ca ala 9}17.099 23.227 23.759 {ca ala 10}14.71 25.834 22.306 {ca met 11}13.405 23.387 19.681 {ca ala 12}13.426 20.278 21.949 {ca glu 13}9.649 20.04 21.543 {ca gln 14}9.674 19.879 17.744 {ca arg 15}12.514 17.383 17.910 {ca his 16}10.508 15.317 20.404 {ca gln 17}7.516 15.20 18.109 {ca glu 18}9.72 14.175 15.145 {ca trp 19}11.219 11.389 17.207 {ca leu 20}7.774 10.094 18.253 {ca arg 21}6.814 9.892 14.567 {ca phe 22}9.769 7.501 13.996 {ca val 23}8.808 5.414 17.057 {ca asp 24}5.208 5.087 15.830 {ca leu 25}6.376 4.102 12.332 {ca leu 26}8.701 1.41 13.700 {ca lys 27}5.938 0.28 15.996 {ca asn 28}3.726 -0.232 12.955 {ca ala 29}6.489 -1.97 10.969 {ca tyr 30}7.003 -4.557 13.744 {ca gln 31}3.296 -5.502 13.593 {ca asp 32}3.644 -5.848 9.779 {ca asn 33}6.908 -7.817 9.945 {ca leu 34}8.552 -4.963 8.002 {ca his 35}10.905 -4.037 10.806 {ca leu 36}14.053 -5.498 9.224 {ca pro 37}13.77 -3.62 5.962 {ca leu 38}12.747 -0.403 7.791 {ca leu 39}15.768 -0.609 10.065 {ca asn 40}18.169 -1.183 7.145 {ca leu 41}16.564 1.808 5.458 {ca met 42}16.744 4.137 8.462 {ca leu 43}20.135 3.234 9.969 {ca thr 44}23.718 2.961 8.797 {ca pro 45}25.807 -0.162 9.152 {ca asp 46}27.871 1.846 11.619 {ca glu 47}24.786 2.663 13.631 {ca arg 48}23.488 -0.932 13.611 {ca glu 49}26.945 -2.091 14.730 {ca ala 50}26.894 0.439 17.564 {ca leu 51}23.447 -0.606 18.786 {ca gly 52}24.57 -4.231 18.815 {ca thr 53}27.485 -3.19 20.955 {ca arg 54}25.296 -1.054 23.291 {ca val 55}23.325 -4.168 24.243 {ca arg 56}26.552 -5.742 25.473 {ca ile 57}27.557 -2.717 27.490 {ca val 58}24.229 -2.727 29.363 {ca glu 59}24.361 -6.465 29.851 {ca glu 60}27.865 -6.088 31.304 {ca leu 61}27.036 -3.006 33.438 {ca leu 62}24.131 -5.025 34.817 {ca arg 63}26.547 -7.883 35.431 {ca gly 64}28.923 -5.785 37.504 {ca glu 65}31.857 -8.177 36.977 {ca met 66}33.972 -6.09 34.579 {ca ser 67}35.658 -2.733 35.110 {ca gln 68}35.10 0.157 32.713 {ca arg 69}38.479 -0.438 31.006 {ca glu 70}38.055 -4.225 30.676 {ca leu 71}34.796 -3.166 29.083 {ca lys 72}36.681 -1.098 26.421 {ca asn 73}39.115 -3.941 25.806 {ca glu 74}36.707 -6.891 25.608 {ca leu 75}33.855 -5.072 23.892 {ca gly 76}35.86 -2.562 21.814 {ca ala 77}33.525 0.291 22.819 {ca gly 78}34.895 3.792 23.460 {ca ile 79}34.988 4.923 27.094 {ca ala 80}32.497 7.789 26.446 {ca thr 81}29.966 5.227 25.210 {ca ile 82}30.368 3.299 28.443 {ca thr 83}30.126 6.392 30.631 {ca arg 84}26.963 7.579 28.904 {ca ala 85}25.686 3.999 28.940 {ca ser 86}26.339 4.123 32.677 {ca asn 87}24.596 7.489 33.110 {ca ser 88}21.47 6.578 31.139 {ca leu 89}20.909 3.333 32.983 {ca lys 90}20.843 5.169 36.326 {ca ala 91}18.292 7.605 34.900 {ca ala 92}16.313 4.578 33.679 {ca pro 93}12.936 3.893 35.309 {ca ala 94}13.145 0.994 37.789 {ca glu 95}10.633 -0.966 35.721 {ca leu 96}12.996 -1.017 32.751 {ca arg 97}15.982 -1.971 34.911 {ca gln 98}14.062 -4.965 36.315 {ca trp 99}13.046 -6.023 32.804 {ca leu 100}16.559 -5.764 31.361 {ca glu 101}17.882 -7.872 34.305 {ca glu 102}15.199 -10.424 33.554 {ca val 103}15.994 -10.581 29.853 {ca leu 104}19.778 -9.964 29.619 {ca leu 105}20.599 -11.76 32.889 {ca lys 106}17.718 -14.216 33.257 {ca ser 107}17.802 -14.548 29.513 {ca asp 108}15.302 -14.755 26.688 @vectorlist {sc} color= sky off master= {binding} {ca thr 53 }P 27.485 -3.19 20.955 {cb thr 53} 28.77 -2.494 20.379 {og1 thr 53} 29.286 -3.473 19.407 {cb thr 53}P 28.77 -2.494 20.379 {cg2 thr 53} 29.709 -2.03 21.489 {ca ala 77}P 33.525 .291 22.819 {cb ala 77} 32.264 -.081 23.563 @vectorlist {sc} color= orange master= {mutant} off {cg1 val 77}P 31.277 1.081 23.621 {cb ala 77} 32.264 -0.081 23.563 {cg2 val 77} 31.63 -1.351 23.003 @subgroup {sub b} dominant @vectorlist {ca sub b} color= green {ca ser b 8}P 34.882 -5.422 9.098 {ca ala b 9} 33.575 -7.394 6.153 {ca ala b 10} 35.28 -10.435 7.722 {ca met b 11}33.208 -10.131 10.915 {ca ala b 12}29.926 -9.094 9.197 {ca glu b 13}28.309 -12.279 10.511 {ca gln b 14}29.07 -11.619 14.177 {ca arg b 15}27.945 -8.034 13.722 {ca his b 16}24.729 -9.284 12.109 {ca gln b 17}23.977 -11.544 15.034 {ca glu b 18}24.641 -8.698 17.514 {ca trp b 19}22.279 -6.459 15.598 {ca leu b 20}19.516 -9.106 15.598 {ca arg b 21}19.822 -9.319 19.393 {ca phe b 22}19.01 -5.568 19.604 {ca val b 23}16.057 -5.966 17.202 {ca asp b 24}14.626 -8.833 19.276 {ca leu b 25}15.038 -6.844 22.508 {ca leu b 26}13.253 -3.809 21.049 {ca lys b 27}10.613 -6.11 19.663 {ca asn b 28}9.995 -7.394 23.180 {ca ala b 29}10.017 -3.888 24.697 {ca tyr b 30}7.275 -2.716 22.297 {ca gln b 31}4.999 -5.569 23.456 {ca asn b 32}5.728 -4.54 27.088 {ca asp b 33}5.238 -0.809 26.456 {ca leu b 34}8.881 -0.307 27.508 {ca his b 35}9.977 0.957 24.123 {ca leu b 36}10.303 4.624 25.120 {ca pro b 37}12.625 4.04 28.039 {ca leu b 38}14.642 1.453 26.042 {ca leu b 39}15.124 3.884 23.179 {ca asn b 40}16.255 6.701 25.504 {ca leu b 41}18.668 4.222 27.055 {ca met b 42}20.098 2.916 23.780 {ca leu b 43}20.29 6.093 21.669 {ca thr b 44}21.747 9.566 21.993 {ca pro b 45}19.723 12.73 21.627 {ca asp b 46}21.744 13.315 18.472 {ca glu b 47}20.77 9.922 17.143 {ca arg b 48}17.07 10.343 18.005 {ca glu b 49}17.151 13.749 16.290 {ca ala b 50}18.709 12.175 13.203 {ca leu b 51}16.125 9.391 12.996 {ca gly b 52}13.348 11.967 13.246 {ca thr b 53}14.927 13.778 10.349 {ca arg b 54}15.402 10.555 8.302 {ca val b 55}11.633 10.024 8.316 {ca arg b 56}11.229 13.391 6.610 {ca ile b 57}13.837 12.659 3.985 {ca val b 58}12.066 9.432 2.971 {ca glu b 59}8.688 11.109 3.029 {ca glu b 60}10.072 13.835 0.754 {ca leu b 61}11.974 11.435 -1.561 {ca leu b 62}8.705 9.534 -1.901 {ca arg b 63}6.985 12.833 -2.632 {ca gly b 64}9.302 13.716 -5.495 {ca glu b 65}8.47 17.442 -5.322 {ca met b 66}11.726 18.764 -3.829 {ca ser b 67}15.248 18.714 -5.236 {ca gln b 68}18.154 17.315 -3.235 {ca arg b 69}19.37 20.827 -2.302 {ca glu b 70}15.92 22.155 -1.319 {ca leu b 71}15.939 19.039 0.819 {ca lys b 72}19.149 20.205 2.624 {ca asn b 73}17.738 23.698 3.066 {ca glu b 74}14.212 22.88 4.263 {ca leu b 75}15.097 19.812 6.311 {ca gly b 76}18.608 20.805 7.460 {ca ala b 77}19.975 17.337 6.617 {ca gly b 78}23.474 16.927 5.157 {ca ile b 79}23.659 15.973 1.476 {ca ala b 80}25.364 12.608 2.257 {ca thr b 81}22.377 11.666 4.422 {ca ile b 82}20.066 12.383 1.510 {ca thr b 83}22.199 10.49 -0.996 {ca arg b 84}22.401 7.424 1.229 {ca gly b 85}18.71 7.849 2.030 {ca ser b 86}18.20 7.816 -1.732 {ca asn b 87}20.392 4.735 -2.240 {ca ser b 88}18.805 2.654 0.524 {ca leu b 89}15.271 3.299 -0.629 {ca lys b 90}16.087 1.939 -4.099 {ca ala b 91}17.57 -1.175 -2.493 {ca ala b 92}14.385 -1.426 -0.402 {ca pro b 93}12.053 -4.366 -1.072 {ca val b 94}8.981 -3.284 -3.069 {ca glu b 95}6.731 -4.348 -0.199 {ca leu b 96}8.323 -1.786 2.105 {ca arg b 97}8.155 0.957 -0.530 {ca gln b 98}4.406 0.353 -0.979 {ca trp b 99}3.89 0.438 2.790 {ca leu b 100}5.855 3.656 3.311 {ca glu b 101}3.818 5.311 0.486 {ca glu b 102}0.665 4.159 2.220 {ca val b 103}1.712 5.485 5.612 {ca leu b 104}3.818 8.607 4.853 {ca leu b 105}1.781 9.631 1.788 {ca lys b 106}-1.628 8.094 2.48 {ca ser b 107} -1.007 8.873 6.106 {ca asp b 108} -1.519 7.169 9.438 @group {TrpRepr lig} animate @subgroup {sub r} dominant @vectorlist {Calphas} color= sky {ca ser r 5}P 16.908 30.966 16.618 {ca pro r 6}15.488 30.507 20.121 {ca tyr r 7}13.967 27.177 21.234 {ca ser r 8}10.308 26.778 20.247 {ca ala r 9}7.814 24.73 22.279 {ca ala r 10}5.799 24.662 19.067 {ca met r 11}8.719 23.097 17.147 {ca ala r 12}9.30 20.711 20.053 {ca glu r 13}5.681 19.575 19.693 {ca gln r 14}6.172 18.895 16.014 {ca arg r 15}9.336 16.862 16.726 {ca his r 16}7.552 14.869 19.405 {ca gln r 17}4.679 13.917 17.071 {ca glu r 18}7.164 12.861 14.357 {ca trp r 19}9.038 10.641 16.838 {ca leu r 20}5.846 8.966 18.049 {ca arg r 21}4.878 8.406 14.385 {ca phe r 22}8.078 6.303 13.990 {ca val r 23}7.462 4.494 17.311 {ca asp r 24}3.877 3.612 16.314 {ca leu r 25}4.866 2.635 12.761 {ca leu r 26}7.467 0.208 14.122 {ca lys r 27}4.95 -1.18 16.634 {ca asn r 28}2.619 -2.06 13.714 {ca ala r 29}5.483 -3.441 11.634 {ca tyr r 30}6.256 -5.935 14.423 {ca gln r 31}2.576 -6.95 14.484 {ca asn r 32}2.752 -7.724 10.730 {ca asp r 33}6.198 -9.34 10.666 {ca leu r 34}7.573 -6.477 8.614 {ca his r 35}9.956 -5.191 11.322 {ca leu r 36}13.173 -6.477 9.622 {ca pro r 37}12.535 -4.802 6.239 {ca leu r 38}11.321 -1.648 8.001 {ca leu r 39}14.474 -1.41 10.153 {ca asn r 40}16.666 -2.10 7.109 {ca leu r 41}14.896 0.772 5.355 {ca met r 42}14.965 3.22 8.262 {ca leu r 43}18.491 2.784 9.636 {ca thr r 44}21.934 2.922 8.022 {ca pro r 45}24.319 -0.064 8.278 {ca asp r 46}26.445 1.95 10.785 {ca glu r 47}23.427 2.65 13.001 {ca arg r 48}22.481 -1.048 13.006 {ca glu r 49}26.073 -1.955 14.041 {ca ala r 50}25.996 0.726 16.778 {ca leu r 51}22.72 -0.651 18.211 {ca gly r 52}24.108 -4.203 18.320 {ca thr r 53}27.158 -2.861 20.247 {ca arg r 54}25.008 -0.812 22.618 {ca val r 55}23.062 -3.921 23.684 {ca arg r 56}26.373 -5.61 24.560 {ca ile r 57}27.488 -2.586 26.595 {ca val r 58}24.191 -2.482 28.536 {ca glu r 59}24.407 -6.241 29.229 {ca glu r 60}27.99 -5.95 30.575 {ca leu r 61}27.163 -2.86 32.650 {ca leu r 62}24.22 -4.703 34.288 {ca arg r 63}26.324 -7.759 34.860 {ca gly r 64}29.107 -5.872 36.661 {ca glu r 65}31.876 -8.441 35.966 {ca met r 66}33.973 -6.139 33.766 {ca ser r 67}35.318 -2.715 34.712 {ca gln r 68}34.496 0.106 32.265 {ca arg r 69}38.143 0.132 31.110 {ca glu r 70}38.072 -3.629 30.575 {ca leu r 71}34.909 -3.163 28.455 {ca lys r 72}36.655 -0.618 26.261 {ca asn r 73}39.529 -3.062 25.719 {ca glu r 74}37.168 -6.006 25.107 {ca leu r 75}34.563 -4.523 22.758 {ca gly r 76}36.55 -1.808 20.971 {ca ala r 77}34.105 0.896 22.184 {ca gly r 78}35.641 4.191 23.367 {ca ile r 79}35.236 5.399 26.930 {ca ala r 80}32.973 8.251 25.775 {ca thr r 81}30.555 5.656 24.351 {ca ile r 82}30.589 3.527 27.456 {ca thr r 83}30.004 6.591 29.643 {ca arg r 84}26.937 7.636 27.636 {ca gly r 85}25.592 4.102 28.189 {ca ser r 86}26.32 4.147 31.931 {ca asn r 87}24.718 7.573 32.367 {ca ser r 88}21.62 6.596 30.356 {ca leu r 89}21.23 3.367 32.360 {ca lys r 90}21.451 5.303 35.636 {ca ala r 91}18.709 7.668 34.369 {ca ala r 92}16.291 4.95 33.224 {ca pro r 93}13.099 3.96 35.016 {ca val r 94}13.777 1.269 37.627 {ca glu r 95}11.153 -0.986 35.991 {ca leu r 96}13.141 -0.917 32.698 {ca arg r 97}16.426 -1.774 34.521 {ca gln r 98}14.71 -4.654 36.354 {ca trp r 99}13.269 -5.994 33.088 {ca leu r 100}16.679 -5.74 31.312 {ca glu r 101}18.275 -7.726 34.182 {ca glu r 102}15.592 -10.409 33.711 {ca val r 103}16.027 -10.747 29.940 {ca leu r 104}19.743 -10.003 29.354 {ca leu r 105}21.309 -11.904 32.284 {ca lys r 106}21.242 -15.693 32.486 {ca ser r 107}19.377 -17.295 35.357 {ca asp r 108}21.782 -18.141 38.224 @vectorlist {lig} color= hotpink {n trp w 1}P 20.494 7.296 25.216 {ca trp w 1}21.956 7.28 24.959 {c trp w 1}22.497 8.714 24.881 {o trp w 1}21.70 9.631 24.601 {c trp w 1}P 22.497 8.714 24.881 {oxt trp w 1}23.687 8.86 25.151 {ca trp w 1}P 21.956 7.28 24.959 {cb trp w 1}22.315 6.514 23.677 {cg trp w 1}23.659 5.86 23.732 {cd1 trp w 1}24.831 6.326 23.201 {ne1 trp w 1}25.862 5.454 23.456 {ce2 trp w 1}25.379 4.392 24.162 {cg trp w 1}P 23.659 5.86 23.732 {cd2 trp w 1}23.972 4.597 24.349 {ce2 trp w 1}25.379 4.392 24.162 {cz2 trp w 1}26.001 3.242 24.641 {ch2 trp w 1}25.223 2.349 25.324 {cd2 trp w 1}P 23.972 4.597 24.349 {ce3 trp w 1}23.221 3.674 25.045 {cz3 trp w 1}23.848 2.519 25.522 {ch2 trp w 1}25.223 2.349 25.324 @subgroup {sub s} dominant @vectorlist {Calphas} color= sea {ca ser s 5}P 42.255 -6.221 8.168 {ca pro s 6} 40.345 -8.235 5.56 {ca tyr s 7} 36.579 -8.833 5.87 {ca ser s 8} 35.695 -11.81 8.08 {ca ala s 9} 32.571 -13.935 7.559 {ca ala s 10}33.107 -14.966 11.169 {ca met s 11}32.987 -11.321 12.335 {ca ala s 12}29.977 -10.74 10.083 {ca glu s 13}28.219 -13.597 11.890 {ca gln s 14}28.929 -12.024 15.246 {ca arg s 15}27.566 -8.654 14.049 {ca his s 16}24.443 -10.306 12.690 {ca gln s 17}23.68 -12.054 16.002 {ca glu s 18}24.188 -8.774 17.911 {ca trp s 19}21.77 -6.959 15.576 {ca leu s 20}19.098 -9.639 15.942 {ca arg s 21}19.575 -9.444 19.738 {ca phe s 22}18.524 -5.745 19.555 {ca val s 23}15.626 -6.546 17.180 {ca asp s 24}14.319 -9.297 19.493 {ca leu s 25}14.832 -7.205 22.642 {ca leu s 26}12.763 -4.383 21.138 {ca lys s 27}10.079 -6.857 20.024 {ca asn s 28}9.701 -7.989 23.673 {ca ala s 29}9.79 -4.415 24.959 {ca tyr s 30}6.764 -3.594 22.776 {ca gln s 31}4.964 -6.65 24.189 {ca asn s 32}5.54 -5.317 27.741 {ca asp s 33}4.881 -1.631 27.055 {ca leu s 34}8.497 -0.786 27.764 {ca his s 35}9.329 0.315 24.192 {ca leu s 36}9.46 4.087 24.991 {ca pro s 37}11.966 3.799 27.872 {ca leu s 38}13.986 1.244 25.893 {ca leu s 39}14.221 3.522 22.829 {ca asn s 40}15.105 6.498 25.046 {ca leu s 41}17.904 4.389 26.524 {ca met s 42}19.196 2.952 23.250 {ca leu s 43}19.158 5.978 20.938 {ca thr s 44}20.616 9.481 21.233 {ca pro s 45}18.353 12.557 20.945 {ca asp s 46}19.857 13.238 17.461 {ca glu s 47}19.064 9.708 16.271 {ca arg s 48}15.461 10.028 17.489 {ca glu s 49}15.12 13.349 15.579 {ca ala s 50}16.647 11.746 12.453 {ca leu s 51}14.155 8.839 12.571 {ca gly s 52}11.191 11.22 12.886 {ca thr s 53}12.487 13.106 9.790 {ca arg s 54}13.078 9.898 7.838 {ca val s 55}9.43 8.854 8.278 {ca arg s 56}8.362 12.208 6.798 {ca ile s 57}10.712 11.758 3.831 {ca val s 58}9.401 8.231 3.129 {ca glu s 59}5.783 9.463 3.352 {ca glu s 60}6.433 12.316 0.867 {ca leu s 61}8.38 10.058 -1.509 {ca leu s 62}5.47 7.554 -1.573 {ca arg s 63}2.972 10.318 -2.039 {ca gly s 64}4.746 11.815 -5.066 {ca glu s 65}3.268 15.343 -4.718 {ca met s 66}6.587 17.064 -3.976 {ca ser s 67}9.717 16.963 -6.125 {ca gln s 68}12.918 15.91 -4.318 {ca arg s 69}14.169 19.521 -4.48 {ca glu s 70}10.89 20.793 -3.044 {ca leu s 71}11.286 18.273 -0.18 {ca lys s 72}14.745 19.593 0.614 {ca asn s 73}13.355 23.139 0.757 {ca glu s 74}10.318 22.075 2.82 {ca leu s 75}11.849 19.794 5.459 {ca gly s 76}15.385 21.181 5.76 {ca ala s 77}16.89 17.779 4.8 {ca gly s 78}19.868 17.836 2.403 {ca ile s 79}19.698 16.202 -1.005 {ca ala s 80}22.166 13.501 0.094 {ca thr s 81}19.704 12.472 2.831 {ca ile s 82}16.736 12.422 0.516 {ca thr s 83}18.678 10.366 -2.037 {ca arg s 84}19.589 7.72 0.550 {ca gly s 85}15.862 7.486 1.362 {ca ser s 86}14.832 7.218 -2.299 {ca asn s 87}17.451 4.546 -3.008 {ca ser s 88}16.506 2.521 0.09 {ca leu s 89}12.798 2.707 -0.812 {ca lys s 90}13.535 1.482 -4.345 {ca ala s 91}15.483 -1.473 -2.865 {ca ala s 92}12.816 -2.532 -0.352 {ca pro s 93}10.577 -5.575 -0.684 {ca val s 94}7.408 -4.734 -2.624 {ca glu s 95}5.28 -6.008 0.29 {ca leu s 96}6.894 -3.402 2.614 {ca arg s 97}6.268 -0.571 0.076 {ca gln s 98}2.629 -1.668 -0.317 {ca trp s 99}2.151 -1.753 3.466 {ca leu s 100}3.761 1.721 3.891 {ca glu s 101}1.363 3.112 1.237 {ca glu s 102}-1.556 1.634 3.215 {ca val s 103}-0.515 3.069 6.589 {ca leu s 104}1.22 6.373 5.709 {ca leu s 105}-1.126 7.694 2.989 {ca lys s 106}-4.675 8.798 3.758 {ca ser s 107} -7.523 6.899 2.153 {ca asp s 108} -8.688 8.665 -1.047 @vectorlist {lig} color= hotpink {n trp x 1}P 18.587 2.531 4.972 {ca trp x 1}18.997 3.937 4.727 {c trp x 1}20.459 3.991 4.266 {o trp x 1}21.207 3.036 4.559 {c trp x 1}P 20.459 3.991 4.266 {oxt trp x 1}20.779 4.966 3.589 {ca trp x 1}P 18.997 3.937 4.727 {cb trp x 1}18.804 4.826 5.963 {cg trp x 1}18.499 6.252 5.629 {cd1 trp x 1}19.373 7.305 5.61 {ne1 trp x 1}18.729 8.464 5.251 {ce2 trp x 1}17.412 8.189 5.029 {ne1 trp x 1}18.729 8.464 5.251 {cg trp x 1}P 18.499 6.252 5.629 {cd2 trp x 1}17.211 6.791 5.274 {ce2 trp x 1}17.412 8.189 5.029 {cz2 trp x 1}16.346 9.009 4.67 {ch2 trp x 1}15.122 8.416 4.525 {cd2 trp x 1}P 17.211 6.791 5.274 {ce3 trp x 1}15.963 6.229 5.116 {cz3 trp x 1}14.894 7.055 4.758 {ch2 trp x 1}15.122 8.416 4.525 @group {DNAcomplex} animate @subgroup {sub a} dominant @balllist {mc N} color= blue master= {binding} off radius= 0.100 {n gly a 78}36.046 2.892 22.876 @balllist {mc O} color= red master= {binding} off radius= 0.100 {o ile a 79}33.897 4.888 28.338 @vectorlist {mc} color= bluetint {ca ser a 5}P 5.077 28.626 22.900 {ca pro a 6}5.311 30.636 19.685 {ca tyr a 7}8.914 29.457 19.568 {ca ser a 8}11.676 27.086 20.579 {ca ala a 9}9.683 24.959 23.007 {ca ala a 10}7.015 24.382 20.365 {ca met a 11}9.587 23.378 17.760 {ca ala a 12}10.971 20.703 20.074 {ca glu a 13}7.444 19.37 20.577 {ca glu a 14}7.007 18.864 16.800 {ca arg a 15}10.233 16.892 16.376 {ca his a 16}8.937 14.832 19.243 {ca gln a 17}5.661 14.039 17.424 {ca glu a 18}7.517 13.069 14.196 {ca trp a 19}9.549 10.604 16.262 {ca leu a 20}6.444 9.114 17.879 {ca arg a 21}5.275 8.463 14.299 {ca phe a 22}8.325 6.256 13.668 {ca val a 23}7.581 4.405 16.955 {ca asp a 24}4.01 3.685 15.836 {ca leu a 25}4.942 2.601 12.331 {ca leu a 26}7.507 0.15 13.778 {ca lys a 27}4.968 -1.287 16.192 {ca asn a 28}2.59 -2.007 13.254 {ca ala a 29}5.542 -3.548 11.317 {ca tyr a 30}6.234 -6.047 14.165 {ca gln a 31}2.493 -7.028 14.149 {ca asp a 32}2.806 -7.826 10.440 {ca asn a 33}6.249 -9.501 10.448 {ca leu a 34}7.726 -6.608 8.342 {ca his a 35}9.939 -5.23 11.132 {ca leu a 36}13.207 -6.359 9.540 {ca pro a 37}12.707 -4.945 6.037 {ca leu a 38}11.381 -1.762 7.699 {ca leu a 39}14.508 -1.385 9.862 {ca asn a 40}16.769 -2.224 6.829 {ca leu a 41}15.017 0.675 5.020 {ca met a 42}15.035 3.204 7.845 {ca leu a 43}18.567 2.707 9.307 {ca thr a 44}22.07 2.643 7.742 {ca pro a 45}24.452 -0.336 8.139 {ca asp a 46}26.792 1.731 10.424 {ca glu a 47}23.727 2.567 12.562 {ca arg a 48}22.681 -1.122 12.993 {ca glu a 49}26.272 -2.048 13.979 {ca ala a 50}26.468 0.744 16.571 {ca leu a 51}23.214 -0.448 18.171 {ca gly a 52}24.676 -3.934 18.369 {ca thr a 53}27.662 -2.541 20.377 {ca arg a 54}25.359 -0.486 22.717 {ca val a 55}23.235 -3.548 23.589 {ca arg a 56}26.387 -5.543 24.477 {ca ile a 57}27.597 -2.723 26.766 {ca val a 58}24.225 -2.399 28.565 {ca glu a 59}24.174 -6.222 29.102 {ca glu a 60}27.762 -6.384 30.465 {ca leu a 61}27.251 -3.288 32.717 {ca leu a 62}24.165 -5.006 34.154 {ca arg a 63}26.048 -8.246 34.721 {ca gly a 64}28.707 -6.39 36.767 {ca glu a 65}31.386 -9.111 36.419 {ca met a 66}33.798 -7.122 34.216 {ca ser a 67}35.426 -3.788 35.064 {c ser a 67}35.226 -3.016 33.730 {o ser a 67}35.361 -3.629 32.659 {c ser a 67}P 35.226 -3.016 33.730 {n gln a 68}34.999 -1.725 33.822 {ca gln a 68}34.80 -0.871 32.631 {c gln a 68}35.982 -0.90 31.681 {o gln a 68}35.88 -0.835 30.427 {c gln a 68}P 35.982 -0.90 31.681 {n arg a 69}37.242 -0.89 32.206 {ca arg a 69}38.405 -0.995 31.324 {c arg a 69}38.487 -2.345 30.648 {o arg a 69}39.061 -2.435 29.531 {c arg a 69}P 38.487 -2.345 30.648 {n glu a 70}37.986 -3.352 31.326 {ca glu a 70}37.957 -4.719 30.789 {c glu a 70}36.951 -4.819 29.627 {o glu a 70}37.207 -5.54 28.627 {c glu a 70}P 36.951 -4.819 29.627 {n leu a 71}35.826 -4.201 29.837 {ca leu a 71}34.743 -4.153 28.816 {c leu a 71}35.259 -3.447 27.562 {o leu a 71}35.096 -3.953 26.426 {c leu a 71}P 35.259 -3.447 27.562 {n lys a 72}35.846 -2.28 27.744 {ca lys a 72}36.388 -1.49 26.625 {c lys a 72}37.373 -2.284 25.788 {o lys a 72}37.357 -2.169 24.539 {c lys a 72}P 37.373 -2.284 25.788 {n asn a 73}38.326 -2.937 26.439 {ca asn a 73}39.347 -3.761 25.752 {c asn a 73}38.716 -4.916 24.980 {o asn a 73}39.022 -5.091 23.781 {c asn a 73}P 38.716 -4.916 24.980 {n glu a 74}37.756 -5.589 25.576 {ca glu a 74}37.027 -6.678 24.890 {c glu a 74}36.367 -6.256 23.573 {o glu a 74}36.396 -7.003 22.568 {c glu a 74}P 36.367 -6.256 23.573 {n leu a 75}35.766 -5.082 23.561 {ca leu a 75}34.942 -4.584 22.446 {c leu a 75}35.69 -3.733 21.447 {o leu a 75}35.072 -3.339 20.426 {c leu a 75}P 35.69 -3.733 21.447 {n gly a 76}36.924 -3.376 21.744 {ca gly a 76}37.707 -2.43 20.960 {c gly a 76}37.019 -1.069 20.987 {o gly a 76}37.085 -0.372 19.953 {c gly a 76}P 37.019 -1.069 20.987 {n ala a 77}36.455 -0.687 22.145 {ca ala a 77}35.701 0.574 22.285 {c ala a 77}36.449 1.634 23.046 {o ala a 77}37.516 1.348 23.631 {c ala a 77}P 36.449 1.634 23.046 {n gly a 78}36.046 2.892 22.876 {ca gly a 78}36.611 3.951 23.778 {c gly a 78}35.81 3.82 25.116 {o gly a 78}34.618 3.448 25.159 {c gly a 78}P 35.81 3.82 25.116 {n ile a 79}36.56 4.012 26.199 {ca ile a 79}35.949 4.085 27.548 {c ile a 79}34.826 5.102 27.538 {o ile a 79}33.897 4.888 28.338 {c ile a 79}P 34.826 5.102 27.538 {n ala a 80}34.926 6.241 26.828 {ca ala a 80}33.787 7.176 26.820 {c ala a 80}32.466 6.608 26.326 {o ala a 80}31.383 7.121 26.739 {c ala a 80}P 32.466 6.608 26.326 {n thr a 81}32.45 5.599 25.478 {ca thr a 81}31.215 4.894 25.031 {c thr a 81}30.649 4.101 26.202 {o thr a 81}29.408 3.956 26.382 {c thr a 81}P 30.649 4.101 26.202 {n ile a 82}31.541 3.423 26.938 {ca ile a 82}31.082 2.66 28.128 {c ile a 82}30.41 3.664 29.114 {o ile a 82}29.392 3.259 29.700 {c ile a 82}P 30.41 3.664 29.114 {n thr a 83}31.00 4.802 29.360 {ca thr a 83}30.471 5.868 30.214 {c thr a 83}29.095 6.333 29.812 {o thr a 83}28.139 6.535 30.610 {c thr a 83}P 29.095 6.333 29.812 {n arg a 84}28.898 6.523 28.502 {ca arg a 84}27.584 6.852 27.950 {c arg a 84}26.515 5.804 28.340 {o arg a 84}25.406 6.253 28.661 {c arg a 84}P 26.515 5.804 28.340 {n gly a 85}26.878 4.572 28.275 {ca gly a 85}26.074 3.41 28.656 {c gly a 85}25.687 3.535 30.152 {o gly a 85}24.53 3.305 30.535 {c gly a 85}P 25.687 3.535 30.152 {n ser a 86}26.747 3.791 30.934 {ca ser a 86}26.597 3.885 32.404 {c ser a 86}25.678 5.015 32.813 {o ser a 86}24.651 4.847 33.520 {c ser a 86}P 25.678 5.015 32.813 {n asn a 87}25.921 6.201 32.287 {ca asn a 87}25.094 7.374 32.585 {c asn a 87}23.655 7.215 32.112 {o asn a 87}22.733 7.77 32.740 {c asn a 87}P 23.655 7.215 32.112 {n ser a 88}23.477 6.535 30.990 {ca ser a 88}22.14 6.276 30.429 {c ser a 88}21.376 5.326 31.348 {o ser a 88}20.156 5.513 31.476 {c ser a 88}P 21.376 5.326 31.348 {n leu a 89}21.968 4.212 31.725 {ca leu a 89}21.37 3.278 32.680 {c leu a 89}20.944 4.017 33.955 {o leu a 89}19.789 3.826 34.377 {c leu a 89}P 20.944 4.017 33.955 {n lys a 90}21.782 4.911 34.442 {ca lys a 90}21.502 5.69 35.640 {c lys a 90}20.235 6.517 35.449 {o lys a 90}19.495 6.654 36.447 {c lys a 90}P 20.235 6.517 35.449 {n ala a 91}20.033 7.061 34.263 {ca ala a 91}18.839 7.867 33.989 {c ala a 91}17.598 7.046 33.610 {o ala a 91}16.59 7.733 33.272 {c ala a 91}P 17.598 7.046 33.610 {n ala a 92}17.648 5.741 33.509 {ca ala a 92}16.466 4.951 33.091 {ca pro a 93}13.206 4.225 34.958 {ca ala a 94}13.488 1.549 37.653 {ca glu a 95}10.918 -0.54 35.831 {ca leu a 96}13.097 -0.721 32.669 {ca arg a 97}16.174 -1.696 34.682 {ca gln a 98}14.269 -4.475 36.453 {ca trp a 99}12.947 -5.845 33.130 {ca leu a 100}16.384 -5.746 31.447 {ca glu a 101}18.009 -7.649 34.324 {ca glu a 102}15.166 -10.10 34.015 {ca val a 103}15.50 -10.658 30.246 {ca leu a 104}19.166 -10.19 29.324 {ca leu a 105}20.89 -11.403 32.470 {ca lys a 106}19.898 -15.052 32.539 {ca ser a 107}18.423 -15.514 29.074 {ca asp a 108}20.828 -13.07 27.430 @balllist {sc N} color= blue master= {binding} off radius= 0.100 {ne arg a 54}24.701 3.884 20.319 {nh1 arg a 54}22.716 4.867 19.681 {nh2 arg a 54}24.663 5.809 18.910 {ne2 gln a 68}31.287 2.024 34.615 {ne arg a 69}41.281 2.201 33.928 {nh1 arg a 69}39.514 2.513 35.416 {nh2 arg a 69}41.029 4.195 35.066 {nz lys a 72}41.272 2.249 27.312 {ne arg a 84}26.943 9.437 24.112 {nh1 arg a 84}27.471 10.909 22.597 {nh2 arg a 84}25.249 10.785 23.194 {nd2 asn a 87}27.237 8.211 34.022 @balllist {sc O} color= red master= {binding} off radius= 0.100 {oe1 gln a 68}32.888 3.036 33.443 {og1 thr a 81}32.184 4.898 22.810 {og1 thr a 83}32.656 6.462 31.059 {og ser a 86}27.863 4.056 34.458 {od1 asn a 87}27.802 9.804 32.449 @vectorlist {sc} color= sky master= {binding} off {ca ala a 50}P 26.468 0.744 16.571 {cb ala a 50}26.281 2.257 16.326 {ca leu a 51}P 23.214 -0.448 18.171 {cb leu a 51}21.77 -0.449 17.616 {cg leu a 51}21.159 0.943 17.495 {cd1 leu a 51}20.045 0.999 16.466 {cg leu a 51}P 21.159 0.943 17.495 {cd2 leu a 51}20.612 1.382 18.874 {ca arg a 54}P 25.359 -0.486 22.717 {cb arg a 54}24.35 0.592 22.264 {cg arg a 54}25.013 1.788 21.595 {cd arg a 54}24.063 2.827 21.099 {ne arg a 54}24.701 3.884 20.319 {cz arg a 54}24.055 4.866 19.677 {nh1 arg a 54}22.716 4.867 19.681 {cz arg a 54}P 24.055 4.866 19.677 {nh2 arg a 54}24.663 5.809 18.910 {ca ser a 67}P 35.426 -3.788 35.064 {cb ser a 67}36.787 -3.496 35.687 {og ser a 67}37.73 -3.761 34.655 {ca gln a 68}P 34.80 -0.871 32.631 {cb gln a 68}34.383 0.514 33.108 {cg gln a 68}32.913 0.61 33.519 {cd gln a 68}32.367 1.952 33.797 {oe1 gln a 68}32.888 3.036 33.443 {cd gln a 68}P 32.367 1.952 33.797 {ne2 gln a 68}31.287 2.024 34.615 {ca arg a 69}P 38.405 -0.995 31.324 {cb arg a 69}39.766 -0.619 31.926 {cg arg a 69}39.786 0.731 32.636 {cd arg a 69}40.957 0.842 33.566 {ne arg a 69}41.281 2.201 33.928 {cz arg a 69}40.59 2.969 34.757 {nh1 arg a 69}39.514 2.513 35.416 {cz arg a 69}P 40.59 2.969 34.757 {nh2 arg a 69}41.029 4.195 35.066 {ca lys a 72}P 36.388 -1.49 26.625 {cb lys a 72}36.935 -0.145 27.054 {cg lys a 72}38.419 -0.211 27.488 {cd lys a 72}39.173 1.007 27.150 {ce lys a 72}40.67 0.896 27.244 {nz lys a 72}41.272 2.249 27.312 {ca ile a 79}P 35.949 4.085 27.548 {cb ile a 79}37.074 4.399 28.605 {cg1 ile a 79}36.538 3.961 30.015 {cd1 ile a 79}36.445 2.414 30.152 {cb ile a 79}P 37.074 4.399 28.605 {cg2 ile a 79}37.399 5.931 28.611 {ca ala a 80}P 33.787 7.176 26.820 {cb ala a 80}34.214 8.402 26.031 {ca thr a 81}P 31.215 4.894 25.031 {cb thr a 81}31.456 3.996 23.738 {og1 thr a 81}32.184 4.898 22.810 {cb thr a 81}P 31.456 3.996 23.738 {cg2 thr a 81}30.186 3.431 23.081 {ca ile a 82}P 31.082 2.66 28.128 {cb ile a 82}32.219 1.906 28.877 {cg1 ile a 82}33.087 1.085 27.877 {cd1 ile a 82}32.306 0.16 26.925 {cb ile a 82}P 32.219 1.906 28.877 {cg2 ile a 82}31.585 0.95 29.947 {ca thr a 83}P 30.471 5.868 30.214 {cb thr a 83}31.495 7.063 30.377 {og1 thr a 83}32.656 6.462 31.059 {cb thr a 83}P 31.495 7.063 30.377 {cg2 thr a 83}30.926 8.254 31.142 {ca arg a 84}P 27.584 6.852 27.950 {cb arg a 84}27.672 6.806 26.403 {cg arg a 84}28.025 8.094 25.744 {cd arg a 84}26.719 8.512 25.104 {ne arg a 84}26.943 9.437 24.112 {cz arg a 84}26.469 10.26 23.229 {nh1 arg a 84}27.471 10.909 22.597 {cz arg a 84}P 26.469 10.26 23.229 {nh2 arg a 84}25.249 10.785 23.194 {ca ser a 86}P 26.597 3.885 32.404 {cb ser a 86}28.005 4.047 33.043 {og ser a 86}27.863 4.056 34.458 {ca asn a 87}P 25.094 7.374 32.585 {cb asn a 87}25.744 8.665 32.168 {cg asn a 87}27.051 8.93 32.927 {od1 asn a 87}27.802 9.804 32.449 {cg asn a 87}P 27.051 8.93 32.927 {nd2 asn a 87}27.237 8.211 34.022 @vectorlist {sc} color= sky master= {binding} off {ca ala a 77} P 35.701 0.574 22.285 {cb ala a 77} 34.366 0.268 23.047 {ca thr a 53} P 27.662 -2.541 20.377 {cb thr a 53} 28.695 -1.435 19.851 {og1 thr a 53} 29.287 -2.00 18.635 {cb thr a 53} P 28.695 -1.435 19.851 {cg2 thr a 53} 29.734 -1.077 20.926 @vectorlist {sc} color= orange master= {mutant} off {cg1 val a 77}P 33.735 1.571 23.541 {cb ala a 77} 34.366 .268 23.047 {cg2 val a 77} 33.409 -.504 22.137 @balllist {water} off color= red radius= 0.1 master= {binding} {O HOH 219}37.964 0.297 35.259 {O HOH 278}30.813 7.336 22.396 {O HOH 296}32.237 5.338 33.398 {O HOH 325}34.805 8.105 30.412 @vectorlist {Hbonds} off color= purple master= {binding} {nh2 arg a 54}P U 25.315 6.051 18.988 {o3* a f 12}U 27.059 6.70 19.197 {o2p c f 13}P U 26.865 4.348 20.116 {ne arg a 54}U 25.383 4.03 20.255 {ne1 lig c 1}P U 26.534 5.948 22.780 {o1p c f 13}U 27.714 6.367 21.938 {"}P U 28.90 6.756 21.760 {O HOH 278}U 30.175 7.142 22.184 {"}P U 31.152 6.732 22.498 {og1 thr a 81}U 31.845 5.502 22.708 {oe2 glu b 47}P U 23.519 6.868 17.662 {nh2 arg a 54}U 24.262 6.18 18.473 {oe1 glu b 47}P U 21.669 6.399 18.699 {nh1 arg a 54}U 22.367 5.378 19.353 {nh1 arg a 69}P U 39.089 2.916 35.800 {n7 g e 2}U 38.164 3.796 36.636 {o6 g e 2}P U 40.339 5.711 36.636 {nh2 arg a 69}U 40.818 4.659 35.546 {nh1 arg a 69}P U 39.113 1.94 35.375 {O HOH 219}U 38.365 0.87 35.300 {o1p g e 2}P U 36.074 -0.132 36.117 {O HOH 219}U 37.34 0.155 35.542 {og1 thr a 83}P U 33.197 6.875 30.896 {O HOH 325}U 34.264 7.692 30.575 {"}P U 35.462 8.291 30.567 {n6 a e 4}U 37.00 8.726 30.931 {O HOH 325}P U 34.914 8.668 30.813 {n7 a e 4}U 35.149 9.878 31.676 {og1 thr a 83}P U 32.544 6.163 31.682 {O HOH 296}U 32.349 5.637 32.775 {"}P U 32.427 4.665 33.411 {oe1 gln a 68}U 32.698 3.709 33.430 {O HOH 296}P U 31.794 5.12 33.894 {o1p t e 3}U 30.638 4.553 35.190 {"}P U 30.471 3.751 35.415 {ne2 gln a 68}U 31.011 2.608 34.886 {o1p t e 3}P U 29.579 4.261 35.362 {og ser a 86}U 28.479 4.13 34.782 {o ile a 79}P U 33.64 5.214 28.902 {og1 thr a 83}U 32.913 6.136 30.495 {og1 thr a 81}P U 32.544 4.509 22.353 {o1p t f 14}U 33.181 3.821 21.548 {n gly a 78}P U 35.485 3.013 22.476 {o1p t f 14}U 34.102 3.311 21.491 {n lig c 1}P U 20.637 6.769 25.242 {o leu b 41}U 20.374 5.097 25.408 {o leu b 43}P U 19.513 7.602 23.188 {n lig c 1}U 20.377 7.50 24.580 {o5* c j 13}P U 30.029 6.128 20.31 {O HOH 278} U 30.596 7.003 21.82 @balllist {trp N} color= blue master= {binding} off radius= 0.100 {n trp b 1}20.746 7.457 25.174 {ne1 trp b 1}25.986 5.753 23.170 @vectorlist {Trp} color= pink {n trp b 1}P 20.746 7.457 25.174 {ca trp b 1}22.227 7.482 24.948 {c trp b 1}22.632 8.969 24.669 {ca trp b 1}P 22.227 7.482 24.948 {cb trp b 1}22.412 6.514 23.745 {cg trp b 1}23.788 5.916 23.674 {cd1 trp b 1}24.843 6.514 23.015 {ne1 trp b 1}25.986 5.753 23.170 {ce2 trp b 1}25.685 4.682 23.951 {ne1 trp b 1}25.986 5.753 23.170 {cg trp b 1}P 23.788 5.916 23.674 {cd2 trp b 1}24.29 4.711 24.214 {ce2 trp b 1}25.685 4.682 23.951 {cz2 trp b 1}26.506 3.704 24.513 {ch2 trp b 1}25.895 2.626 25.165 {cd2 trp b 1}P 24.29 4.711 24.214 {ce3 trp b 1}23.762 3.799 25.125 {cz3 trp b 1}24.517 2.684 25.477 {ch2 trp b 1}25.895 2.626 25.165 @subgroup {sub c} dominant @vectorlist {mc} color= greentint {ca ala c 10}P 34.682 -9.769 10.823 {ca met c 11}34.283 -7.912 14.100 {ca ala c 12}31.429 -6.783 11.846 {ca glu c 13}29.786 -10.201 11.501 {ca glu c 14}29.756 -10.212 15.283 {ca arg c 15}28.24 -6.777 15.662 {ca his c 16}25.569 -7.981 13.221 {ca gln c 17}24.448 -10.879 15.407 {ca glu c 18}24.182 -8.452 18.331 {ca trp c 19}22.052 -6.026 16.239 {ca leu c 20}19.646 -8.979 15.573 {ca arg c 21}19.522 -9.511 19.350 {ca phe c 22}18.517 -5.852 19.838 {ca val c 23}15.616 -6.358 17.296 {ca asp c 24}14.413 -9.245 19.416 {ca leu c 25}14.689 -7.309 22.730 {ca leu c 26}12.758 -4.447 21.189 {ca lys c 27}9.992 -6.784 20.051 {ca asn c 28}9.684 -7.983 23.673 {ca ala c 29}9.636 -4.382 24.984 {ca tyr c 30}6.687 -3.414 22.743 {ca gln c 31}4.838 -6.434 24.292 {ca asp c 32}5.386 -5.066 27.851 {ca asn c 33}4.782 -1.394 27.179 {ca leu c 34}8.493 -0.506 27.744 {ca his c 35}9.391 0.384 24.121 {ca leu c 36}9.613 4.14 24.798 {ca pro c 37}12.016 3.907 27.765 {ca leu c 38}14.025 1.243 25.813 {ca leu c 39}14.357 3.586 22.816 {ca asn c 40}15.314 6.578 25.018 {ca leu c 41}18.134 4.446 26.513 {c leu c 41}19.079 4.166 25.311 {o leu c 41}20.265 4.409 25.476 {c leu c 41}P 19.079 4.166 25.311 {n met c 42}18.516 3.536 24.282 {ca met c 42}19.392 3.019 23.208 {c met c 42}19.759 4.025 22.139 {o met c 42}20.787 3.748 21.466 {c met c 42}P 19.759 4.025 22.139 {n leu c 43}19.034 5.076 21.926 {ca leu c 43}19.262 6.036 20.830 {c leu c 43}19.621 7.367 21.474 {o leu c 43}19.144 7.645 22.594 {c leu c 43}P 19.621 7.367 21.474 {n thr c 44}20.248 8.228 20.694 {ca thr c 44}20.53 9.603 21.178 {ca pro c 45}18.287 12.684 20.791 {ca asp c 46}19.792 13.445 17.345 {ca glu c 47}19.178 9.893 16.064 {ca arg c 48}15.507 10.076 17.168 {ca glu c 49}15.086 13.412 15.252 {ca ala c 50}16.733 11.982 12.111 {ca leu c 51}14.394 8.912 12.186 {ca gly c 52}11.338 11.219 12.445 {ca thr c 53}12.602 12.938 9.280 {ca arg c 54}13.25 9.758 7.226 {ca val c 55}9.585 8.667 7.851 {ca arg c 56}8.367 11.992 6.354 {ca ile c 57}10.623 11.544 3.361 {ca val c 58}9.487 7.979 2.569 {ca glu c 59}5.805 8.956 3.060 {ca glu c 60}5.958 11.915 0.604 {ca leu c 61}8.017 9.999 -2.034 {ca leu c 62}5.32 7.323 -1.943 {ca arg c 63}2.455 9.926 -2.143 {ca gly c 64}4.016 11.453 -5.297 {ca glu c 65}2.328 14.863 -5.218 {ca met c 66}5.504 16.941 -4.833 {ca ser c 67}8.717 16.916 -6.943 {"}8.717 16.916 -6.943 {c ser c 67}9.759 16.759 -5.811 {o ser c 67}9.53 17.199 -4.662 {c ser c 67}P 9.759 16.759 -5.811 {n gln c 68}10.881 16.139 -6.102 {ca gln c 68}11.902 15.945 -5.002 {c gln c 68}12.453 17.301 -4.622 {o gln c 68}12.823 17.56 -3.455 {c gln c 68}P 12.453 17.301 -4.622 {n arg c 69}12.538 18.243 -5.542 {ca arg c 69}13.028 19.587 -5.183 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20.533 5.438 {o leu c 75}13.381 20.112 6.504 {c leu c 75}P 12.868 20.533 5.438 {n gly c 76}13.477 21.287 4.567 {ca gly c 76}14.705 22.078 4.821 {c gly c 76}15.885 21.069 4.766 {o gly c 76}16.753 21.026 5.651 {c gly c 76}P 15.885 21.069 4.766 {n ala c 77}15.684 20.014 3.975 {ca ala c 77}16.679 18.954 3.816 {c ala c 77}17.594 19.188 2.584 {o ala c 77}17.285 20.056 1.769 {c ala c 77}P 17.594 19.188 2.584 {n gly c 78}18.627 18.379 2.569 {ca gly c 78}19.569 18.376 1.372 {c gly c 78}18.959 17.424 0.342 {o gly c 78}18.322 16.426 0.724 {c gly c 78}P 18.959 17.424 0.342 {n ile c 79}19.084 17.725 -0.955 {ca ile c 79}18.529 16.822 -1.973 {c ile c 79}19.127 15.43 -1.874 {o ile c 79}18.437 14.423 -2.121 {c ile c 79}P 19.127 15.43 -1.874 {n ala c 80}20.371 15.297 -1.387 {ca ala c 80}20.982 13.958 -1.259 {c ala c 80}20.222 13.078 -0.266 {o ala c 80}20.308 11.845 -0.380 {c ala c 80}P 20.222 13.078 -0.266 {n thr c 81}19.636 13.715 0.750 {ca thr c 81}18.864 12.938 1.754 {c thr c 81}17.604 12.355 1.120 {o thr c 81}17.33 11.22 1.467 {c thr c 81}P 17.604 12.355 1.120 {n ile c 82}16.957 13.134 0.248 {ca ile c 82}15.773 12.578 -0.511 {c ile c 82}16.194 11.395 -1.368 {o ile c 82}15.524 10.359 -1.492 {c ile c 82}P 16.194 11.395 -1.368 {n thr c 83}17.302 11.598 -2.101 {ca thr c 83}17.903 10.576 -2.930 {c thr c 83}18.175 9.272 -2.162 {o thr c 83}17.886 8.171 -2.639 {c thr c 83}P 18.175 9.272 -2.162 {n arg c 84}18.584 9.417 -0.891 {ca arg c 84}18.869 8.232 -0.045 {c arg c 84}17.582 7.464 0.212 {o arg c 84}17.515 6.248 0.137 {c arg c 84}P 17.582 7.464 0.212 {n ala c 85}16.548 8.241 0.421 {ca ala c 85}15.191 7.667 0.668 {c ala c 85}14.696 6.939 -0.591 {o ala c 85}14.194 5.801 -0.565 {c ala c 85}P 14.696 6.939 -0.591 {n ser c 86}14.898 7.619 -1.729 {ca ser c 86}14.504 7.05 -3.034 {c ser c 86}15.193 5.733 -3.298 {o ser c 86}14.583 4.649 -3.570 {c ser c 86}P 15.193 5.733 -3.298 {n asn c 87}16.517 5.77 -3.188 {ca asn c 87}17.347 4.564 -3.387 {c asn c 87}17.00 3.473 -2.394 {o asn c 87}17.003 2.287 -2.753 {c asn c 87}P 17.00 3.473 -2.394 {n ser c 88}16.741 3.823 -1.128 {ca ser c 88}16.336 2.763 -0.146 {c ser c 88}15.002 2.148 -0.496 {o ser c 88}14.794 0.945 -0.306 {c ser c 88}P 15.002 2.148 -0.496 {n leu c 89}14.024 2.924 -0.952 {ca leu c 89}12.726 2.344 -1.372 {c leu c 89}12.932 1.393 -2.559 {o leu c 89}12.302 0.337 -2.521 {c leu c 89}P 12.932 1.393 -2.559 {n lys c 90}13.759 1.726 -3.552 {ca lys c 90}14.035 0.814 -4.703 {c lys c 90}14.64 -0.505 -4.272 {o lys c 90}14.436 -1.578 -4.907 {c lys c 90}P 14.64 -0.505 -4.272 {n ala c 91}15.313 -0.544 -3.110 {ca ala c 91}15.941 -1.794 -2.662 {c ala c 91}15.003 -2.615 -1.758 {o ala c 91}15.268 -3.801 -1.557 {c ala c 91}P 15.003 -2.615 -1.758 {n ala c 92}13.917 -2.061 -1.317 {ca ala c 92}12.989 -2.733 -0.370 {"}12.989 -2.733 -0.370 {ca pro c 93}10.795 -5.731 -1.105 {ca ala c 94}7.618 -5.004 -3.100 {ca glu c 95}5.468 -6.27 -0.178 {ca leu c 96}6.977 -3.641 2.160 {ca arg c 97}6.374 -0.775 -0.316 {ca gln c 98}2.73 -1.849 -0.807 {ca trp c 99}2.342 -2.152 3.057 {ca leu c 100}3.729 1.383 3.551 {ca glu c 101}1.343 2.828 0.907 {ca glu c 102}-1.588 1.212 2.725 {ca val c 103}-0.551 2.422 6.219 {ca leu c 104}0.899 5.879 5.484 {ca leu c 105}-1.564 7.012 2.836 {ca lys c 106}-4.646 6.265 4.978 {ca ser c 107}-6.959 3.826 6.710 {ca asp c 108}-4.867 2.434 9.511 @balllist {sc O} color= red master= {binding} off radius= 0.100 {og1 thr b 44}21.679 10.405 19.248 {oe1 glu b 47}21.32 6.91 18.371 {oe2 glu b 47}23.118 7.239 17.225 @vectorlist {sc} color= sea master= {binding} off {ca met b 42}P 19.392 3.019 23.208 {cb met b 42}18.761 1.786 22.596 {cg met b 42}18.654 0.646 23.516 {sd met b 42}20.22 -0.125 23.997 {ce met b 42}19.793 -0.425 25.734 {ca thr b 44}P 20.53 9.603 21.178 {cb thr b 44}21.943 10.125 20.679 {og1 thr b 44}21.679 10.405 19.248 {cb thr b 44}P 21.943 10.125 20.679 {cg2 thr b 44}23.074 9.159 20.975 {ca glu b 47}P 19.178 9.893 16.064 {cb glu b 47}19.769 8.611 16.640 {cg glu b 47}21.306 8.475 16.534 {cd glu b 47}21.919 7.533 17.509 {oe1 glu b 47}21.32 6.91 18.371 {cd glu b 47}P 21.919 7.533 17.509 {oe2 glu b 47}23.118 7.239 17.225 @vectorlist {ligand} color= pink {n trp d 1}P 18.883 2.557 4.541 {ca trp d 1}19.157 3.985 4.236 {c trp d 1}20.739 4.034 3.811 {ca trp d 1}P 19.157 3.985 4.236 {cb trp d 1}18.922 4.75 5.557 {cg trp d 1}18.691 6.225 5.421 {cd1 trp d 1}19.60 7.246 5.533 {ne1 trp d 1}19.002 8.458 5.172 {ce2 trp d 1}17.731 8.192 4.766 {ne1 trp d 1}19.002 8.458 5.172 {cg trp d 1}P 18.691 6.225 5.421 {cd2 trp d 1}17.508 6.826 4.861 {ce2 trp d 1}17.731 8.192 4.766 {cz2 trp d 1}16.797 9.032 4.132 {ch2 trp d 1}15.458 8.571 4.170 {cd2 trp d 1}P 17.508 6.826 4.861 {ce3 trp d 1}16.204 6.309 4.672 {cz3 trp d 1}15.202 7.201 4.313 {ch2 trp d 1}15.458 8.571 4.170 @group {DNA} off @subgroup {backbone} dominant @balllist {bb O} color= red master= {binding} off radius= 0.100 {o1p g i 2}35.45 -0.274 36.400 {o3* g i 2}31.218 4.63 37.767 {o1p t i 3}30.195 4.335 35.686 {o2p t i 3}29.059 5.832 37.472 {o5* t i 3}31.086 6.704 36.406 {o3* a j 12}27.711 6.942 19.275 {o1p c j 13}28.262 6.562 21.548 {o2p c j 13}27.547 4.494 20.052 {o5* c j 13}29.812 5.795 19.734 {o1p t j 14}33.541 3.432 21.091 @vectorlist {bb} color= white {o5* t i 1}P 39.21 -1.192 38.093 {c5* t i 1}38.30 -2.028 38.913 {c4* t i 1}37.682 -0.94 39.802 {o4* t i 1}38.758 -0.136 40.197 {c4* t i 1}P 37.682 -0.94 39.802 {c3* t i 1}36.792 0.012 39.000 {o3* t i 1}35.486 -0.472 38.842 {c3* t i 1}P 36.792 0.012 39.000 {c2* t i 1}36.998 1.343 39.667 {o4* t i 1}P 38.758 -0.136 40.197 {c1* t i 1}38.277 1.241 40.462 {c2* t i 1}P 36.998 1.343 39.667 {c1* t i 1}38.277 1.241 40.462 {c2* t i 1}36.998 1.343 39.667 {o3* t i 1}P 35.486 -0.472 38.842 {p g i 2}34.485 0.077 37.380 {o1p g i 2}35.45 -0.274 36.400 {p g i 2}P 34.485 0.077 37.380 {o2p g i 2}33.319 -0.92 37.648 {p g i 2}P 34.485 0.077 37.380 {o5* g i 2}34.145 1.482 37.740 {c5* g i 2}33.191 1.815 38.772 {c4* g i 2}32.993 3.29 38.701 {o4* g i 2}34.063 4.14 39.011 {c4* g i 2}P 32.993 3.29 38.701 {c3* g i 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40.592 7.36 34.085 {o4 t i 3}U 39.072 6.535 33.939 {n3 t i 3}P U 38.078 8.366 34.742 {n1 a j 18}U 39.41 9.154 34.882 {n4 c j 19}P U 41.586 7.188 37.294 {o6 g i 2}U 40.70 6.573 37.186 {n1 g i 2}P U 39.208 8.049 37.977 {n3 c j 19}U 40.282 8.865 38.113 {o2 c j 19}P U 38.994 10.627 38.805 {n2 g i 2}U 37.82 9.69 38.771 @kinemage 5 @caption (B&T Fig. 8.21,8.22) Lac repressor tetramer - core domains 1 (greens) and 2 (blues), and tetramerization 4-helix bundle (yellows). 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-1.523 38.367 {ca asp b 219}20.419 0.66 41.247 {ca trp b 220}17.495 0.34 43.693 {ca ser b 221}15.682 3.329 42.247 {ca ala b 222}12.191 3.118 40.880 {ca met b 223}13.527 4.951 37.800 {ca ser b 224}16.304 2.38 37.148 {ca gly b 225}13.625 -0.22 37.487 {ca phe b 226}11.552 1.754 34.992 {ca gln b 227}14.442 2.275 32.627 {ca gln b 228}15.727 -1.322 32.784 {ca thr b 229}12.374 -2.949 31.896 {ca met b 230}11.859 -0.292 29.236 {ca gln b 231}15.113 -1.27 27.583 {ca met b 232}14.489 -5.022 27.993 {ca leu b 233}11.102 -4.921 26.237 {ca asn b 234}12.582 -2.775 23.444 {ca glu b 235}15.403 -5.335 23.016 {ca gly b 236}12.438 -7.605 22.386 {ca ile b 237}12.574 -9.729 25.516 {ca val b 238}8.993 -10.003 26.867 {ca pro b 239}8.844 -12.08 30.004 {ca thr b 240}5.575 -13.315 31.466 {ca ala b 241}7.171 -12.72 34.859 {ca met b 242}9.838 -10.514 36.434 {ca leu b 243}11.76 -11.221 39.664 {ca val b 244}12.819 -7.797 41.033 {ca ala b 245}15.439 -7.20 43.764 {ca asn b 246}13.602 -4.398 45.571 {ca asp b 247}10.202 -2.667 45.817 {ca gln b 248}11.096 0.644 44.182 {ca met b 249}12.562 -0.77 40.954 {ca ala b 250}9.209 -2.621 40.886 {ca leu b 251}7.252 0.636 40.997 {ca gly b 252}9.461 1.423 37.968 {ca ala b 253}9.292 -2.01 36.156 {ca met b 254}5.476 -1.727 36.401 {ca arg b 255}5.365 1.895 35.185 {ca ala b 256}7.52 0.447 32.420 {ca ile b 257}5.291 -2.625 31.830 {ca thr b 258}2.02 -0.615 31.999 {ca glu b 259}3.019 2.187 29.589 {ca ser b 260}3.769 -0.495 26.962 {ca gly b 261}0.168 -1.695 26.648 {ca leu b 262}0.916 -4.522 29.073 {ca arg b 263}-1.13 -5.391 32.076 {ca val b 264}0.948 -6.166 35.126 {ca gly b 265}0.057 -9.731 36.142 {ca ala b 266}-2.264 -10.678 33.290 {ca asp b 267}0.481 -9.914 30.729 {ca ile b 268}3.719 -9.322 32.591 {ca ser b 269}3.793 -10.463 36.240 {ca val b 270}6.066 -8.953 38.912 {ca val b 271}7.218 -9.953 42.396 {ca gly b 272}9.143 -7.362 44.419 {ca tyr b 273}11.329 -7.747 47.526 {ca asp b 274}11.044 -5.974 50.936 {ca asp b 275}7.375 -5.156 51.008 {ca thr b 276}8.312 -1.623 51.906 {ca 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8.617 20.396 {ca tyr d 126}43.811 8.725 23.859 {ca pro d 127}41.615 11.091 25.922 {ca leu d 128}44.003 12.416 28.598 {ca asp d 129}42.755 14.971 31.174 {ca asp d 130}45.226 17.893 30.662 {ca gln d 131}47.458 17.145 33.632 {ca asp d 132}47.437 13.417 32.811 {ca ala d 133}48.733 14.344 29.328 {ca ile d 134}51.688 15.966 31.063 {ca ala d 135}52.262 12.723 32.949 {ca val d 136}52.159 10.502 29.849 {ca glu d 137}54.111 13.116 27.894 {ca ala d 138}56.814 12.527 30.535 {ca ala d 139}56.485 8.773 30.775 {ca cys d 140}57.039 8.413 27.068 {ca thr d 141}59.602 11.193 26.921 {ca asn d 142}62.998 10.858 25.271 {ca val d 143}61.027 9.984 22.132 {ca pro d 144}58.839 12.649 20.406 {ca ala d 145}55.185 12.397 21.556 {ca leu d 146}52.20 13.89 19.718 {ca phe d 147}48.859 13.906 21.521 {ca leu d 148}45.745 13.813 19.422 {ca asp d 149}42.924 13.695 21.988 {ca val d 150}43.786 16.445 24.516 {ca ser d 151}43.072 20.129 25.173 {ca asp d 152}44.726 22.875 23.072 {ca gln d 153}45.671 24.46 26.389 {ca thr d 154}48.29 21.883 27.193 {ca pro d 155}52.102 22.403 27.208 {ca ile d 156}52.522 19.25 24.975 {ca asn d 157}52.772 18.695 21.210 {ca ser d 158}49.217 17.919 20.130 {ca ile d 159}46.936 17.991 17.099 {ca ile d 160}43.293 18.639 18.057 {ca phe d 161}40.297 19.399 15.880 {ca ser d 162}38.832 22.844 16.400 {ca asp d 292}P 38.561 14.531 8.700 {ca phe d 293}40.496 11.725 10.383 {ca arg d 294}42.56 11.269 7.226 {ca leu d 295}43.963 14.823 7.222 {ca leu d 296}44.477 14.234 10.933 {ca gly d 297}46.384 10.995 10.283 {ca gln d 298}48.659 12.557 7.665 {ca thr d 299}49.467 15.739 9.538 {ca ser d 300}50.046 13.919 12.838 {ca val d 301}52.489 11.498 11.163 {ca asp d 302}54.325 14.289 9.354 {ca arg d 303}54.489 16.491 12.370 {ca leu d 304}55.887 13.577 14.384 {ca leu d 305}58.546 12.769 11.795 {ca gln d 306}59.705 16.369 11.802 {ca leu d 307}59.584 16.56 15.624 {ca ser d 308}61.56 13.293 15.284 {ca gln d 309}64.135 15.514 13.622 {ca gly d 310}64.623 18.879 15.332 {ca gln d 311}61.745 20.729 13.740 {ca ala d 312}59.781 22.309 16.604 {ca val d 313}56.973 24.503 15.345 {ca lys d 314}55.787 22.901 18.651 {ca gly d 315}52.866 23.472 21.010 {ca asn d 316}49.231 23.085 20.074 {ca gln d 317}47.932 22.901 16.426 {ca leu d 318}44.255 23.17 15.417 {ca leu d 319}42.932 21.458 12.314 {ca pro d 320}39.763 22.853 10.745 @vectorlist {core 2} color= bluetint master= {core dom 2} {ca ser d 162}P 38.832 22.844 16.400 {ca his d 163}36.078 22.552 18.986 {ca glu d 164}35.068 26.205 18.803 {ca asp d 165}34.134 25.764 15.143 {ca gly d 166}32.553 22.341 15.416 {ca thr d 167}30.378 23.597 18.316 {ca arg d 168}29.518 26.875 16.645 {ca leu d 169}28.841 25.457 13.276 {ca gly d 170}26.388 23.026 14.864 {ca val d 171}24.789 25.539 17.187 {ca glu d 172}24.46 28.072 14.357 {ca his d 173}22.932 25.952 11.602 {ca leu d 174}20.209 25.016 14.098 {ca val d 175}19.723 28.698 14.952 {ca ala d 176}19.571 30.168 11.339 {ca leu d 177}16.879 27.523 10.741 {ca gly d 178}14.886 28.778 13.742 {ca his d 179}15.431 26.082 16.345 {ca gln d 180}14.695 27.356 19.858 {ca gln d 181}14.19 24.11 21.828 {ca ile d 182}17.518 22.287 21.358 {ca ala d 183}18.68 19.245 23.297 {ca leu d 184}22.285 18.297 24.094 {ca leu d 185}23.68 14.747 23.945 {ca ala d 186}27.092 14.796 25.506 {ca gly d 187}29.714 12.088 25.340 {ca pro d 188}31.131 10.74 28.659 {ca leu d 189}32.555 13.852 30.333 {ca ser d 190}35.606 11.789 31.429 {ca ser d 191}36.605 12.666 27.829 {ca val d 192}38.398 15.996 27.482 {ca ser d 193}36.949 16.022 23.983 {ca ala d 194}33.302 15.536 25.001 {ca arg d 195}33.941 17.777 27.951 {ca leu d 196}34.92 20.42 25.364 {ca arg d 197}32.145 19.805 22.858 {ca leu d 198}29.514 20.521 25.529 {ca ala d 199}31.125 23.761 26.691 {ca gly d 200}30.911 25.272 23.251 {ca trp d 201}27.403 23.862 22.637 {ca his d 202}26.783 26.215 25.546 {ca lys d 203}28.987 29.233 24.731 {ca tyr d 204}27.264 29.58 21.384 {ca leu d 205}23.854 28.714 22.682 {ca thr d 206}24.077 31.326 25.468 {ca arg d 207}25.417 33.821 22.967 {ca asn d 208}22.378 33.158 20.800 {ca gln d 209}19.651 33.639 23.438 {ca ile d 210}19.139 29.837 23.731 {ca gln d 211}19.413 27.51 26.759 {ca pro d 212}19.306 23.736 26.325 {ca ile d 213}16.022 22.144 27.403 {ca ala d 214}17.842 18.807 27.679 {ca glu d 215}21.316 17.836 28.787 {ca arg d 216}22.17 14.15 28.730 {ca glu d 217}25.404 12.171 28.510 {ca gly d 218}26.149 8.942 26.644 {ca asp d 219}29.16 6.629 26.501 {ca trp d 220}29.569 7.142 22.756 {ca ser d 221}27.698 3.99 21.647 {ca ala d 222}24.589 4.113 19.450 {ca met d 223}22.589 2.355 22.188 {ca ser d 224}23.513 5.008 24.826 {ca gly d 225}22.388 7.544 22.261 {ca phe d 226}19.08 5.73 21.990 {ca gln d 227}18.525 5.361 25.687 {ca gln d 228}19.143 9.004 26.419 {ca thr d 229}16.861 10.353 23.633 {ca met d 230}14.182 7.887 24.728 {ca gln d 231}14.578 8.63 28.409 {ca met d 232}14.236 12.384 27.627 {ca leu d 233}11.092 11.993 25.471 {ca asn d 234}9.584 9.80 28.208 {ca glu d 235}10.497 12.564 30.693 {ca gly d 236}8.333 14.833 28.623 {ca ile d 237}10.968 16.919 26.855 {ca val d 238}10.413 17.089 23.103 {ca pro d 239}13.149 19.349 21.572 {ca thr d 240}12.95 20.506 17.941 {ca ala d 241}16.543 19.615 17.492 {ca met d 242}19.314 17.756 19.229 {ca leu d 243}23.053 18.479 18.990 {ca val d 244}24.705 15.074 19.362 {ca ala d 245}28.42 14.631 20.117 {ca asn d 246}29.211 11.763 17.796 {ca asp d 247}27.568 9.879 14.944 {ca gln d 248}26.877 6.693 16.864 {ca met d 249}24.808 8.296 19.614 {ca ala d 250}23.18 10.175 16.712 {ca leu d 251}22.075 6.875 15.099 {ca gly d 252}20.557 5.774 18.406 {ca ala d 253}18.997 9.221 18.974 {ca met d 254}17.547 8.883 15.492 {ca arg d 255}16.322 5.348 16.148 {ca ala d 256}14.755 6.789 19.373 {ca ile d 257}13.078 9.788 17.748 {ca thr d 258}11.78 7.529 14.963 {ca glu d 259}10.16 4.853 17.181 {ca ser d 260}8.378 7.75 19.033 {ca gly d 261}6.472 8.643 15.864 {ca leu d 262}8.58 11.73 15.281 {ca arg d 263}10.446 12.583 12.043 {ca val d 264}14.207 13.027 11.985 {ca gly d 265}14.629 16.43 10.389 {ca ala d 266}11.056 17.722 10.355 {ca asp d 267}9.95 17.011 13.901 {ca ile d 268}13.42 16.769 15.480 {ca ser d 269}16.589 17.77 13.637 {ca val d 270}19.868 16.131 14.645 {ca val d 271}23.464 17.237 14.171 {ca gly d 272}26.048 14.603 14.950 {ca tyr d 273}29.73 15.292 15.149 {ca asp d 274}32.445 13.302 13.398 {ca asp d 275}31.221 12.407 9.923 {ca thr d 276}32.213 8.789 10.468 {ca glu d 277}32.119 6.535 7.390 {ca asp d 278}28.622 5.292 8.005 {ca ser d 279}26.894 8.594 8.573 {ca ser d 280}26.346 8.961 4.859 {ca cys d 281}24.059 5.888 5.033 {ca tyr d 282}22.214 6.365 8.372 {ca ile d 283}18.557 6.35 7.514 {ca pro d 284}18.042 10.019 7.245 {ca pro d 285}21.653 10.751 6.031 {ca leu d 286}23.033 12.481 9.057 {ca thr d 287}24.149 16.156 8.849 {ca thr d 288}27.421 16.328 10.789 {ca ile d 289}30.398 18.35 11.884 {ca lys d 290}33.016 16.643 9.795 {ca gln d 291}36.205 15.745 11.480 {ca asp d 292}38.561 14.531 8.700 {ca pro d 320}P 39.763 22.853 10.745 {ca val d 321}36.301 21.147 10.686 {ca ser d 322}33.004 21.671 8.878 {ca leu d 323}29.291 21.195 8.691 {ca val d 324}28.314 18.529 6.139 {ca lys d 325}24.691 19.19 5.164 {ca arg d 326}22.703 16.059 4.750 {ca lys d 327}19.10 15.272 5.580 {ca thr d 328}18.508 15.419 9.289 {ca thr d 329}18.348 19.196 9.335 {ca leu d 330}15.254 21.174 8.571 {ca ala d 331}13.364 24.109 10.091 {ca pro d 332}10.789 23.70 12.839 {ca asn d 333}8.346 24.982 10.220 {ca thr d 334}6.559 21.672 10.966 {ca gln d 335}3.34 22.209 9.020 {ca thr d 336}0.813 22.654 11.889 {ca ala d 337}-1.98 21.649 9.372 @vectorlist {hlx} color= yellowtint master= {4-helix} {ca ala d 337}P -1.98 21.649 9.372 {ca ser d 338}-3.283 18.556 11.202 {ca pro d 339}-6.769 19.096 9.643 {ca arg d 340}-9.972 17.182 10.615 {ca ala d 341}-8.183 14.596 8.473 {ca leu d 342}-6.542 13.106 11.568 {ca ala d 343}-9.838 11.399 12.478 {ca asp d 344}-10.514 9.845 9.029 {ca ser d 345}-6.946 8.625 8.857 {ca leu d 346}-7.148 7.072 12.392 {ca met d 347}-10.268 5.507 11.096 {ca gln d 348}-8.529 3.68 8.156 {ca leu d 349}-5.69 2.508 10.382 {ca ala d 350}-8.366 1.128 12.671 {ca arg d 351}-9.969 -0.924 9.914 {ca gln d 352}-6.402 -1.778 8.833 {ca val d 353}-5.518 -2.951 12.329 {ca ser d 354}-8.631 -5.229 12.546 {ca arg d 355}-8.265 -6.651 8.984 {ca leu d 356}-5.436 -8.837 10.267 {ca glu d 357}-7.461 -10.196 13.234 @vectorlist {hlx sc} off color= gold master= {4-hlx sidech} {ca leu d 342}P -6.542 13.106 11.568 {cb leu d 342}-6.098 13.839 12.829 {cg leu d 342}-5.013 14.917 12.695 {cd1 leu d 342}-4.615 15.315 14.075 {cg leu d 342}P -5.013 14.917 12.695 {cd2 leu d 342}-3.815 14.439 11.943 {ca leu d 346}P -7.148 7.072 12.392 {cb leu d 346}-7.8 7.692 13.615 {cg leu d 346}-7.199 8.851 14.373 {cd1 leu d 346}-7.761 8.75 15.781 {cg leu d 346}P -7.199 8.851 14.373 {cd2 leu d 346}-5.696 8.752 14.394 {ca leu d 349}P -5.69 2.508 10.382 {cb leu d 349}-4.789 3.455 11.152 {cg leu d 349}-3.527 3.735 10.363 {cd1 leu d 349}-2.781 4.813 11.015 {cg leu d 349}P -3.527 3.735 10.363 {cd2 leu d 349}-2.699 2.47 10.291 {ca ala d 350}P -8.366 1.128 12.671 {cb ala d 350}-9.497 1.964 13.203 {ca val d 353}P -5.518 -2.951 12.329 {cb val d 353}-5.597 -2.064 13.639 {cg1 val d 353}-5.519 -2.904 14.860 {cb val d 353}P -5.597 -2.064 13.639 {cg2 val d 353}-4.453 -1.096 13.702 @vectorlist {hlx sc} off color= orange master= {4-hlx sidech} {ca ala d 343}P -9.838 11.399 12.478 {cb ala d 343}-11.174 12.059 12.759 {ca ala d 350}P -8.366 1.128 12.671 {cb ala d 350}-9.497 1.964 13.203 @kinemage 6 @caption (B&T Fig. 8.23) PurR repressor/guanine/DNA complex. (from PDB file 1WET) @onewidth @zoom 1.2 @zslab 200 @center 44.421 2.777 .021 @matrix 0.014864 -.999864 .007217 .41196 -.000453 -.911202 .911081 .016518 .411896 @2viewid {end, DNA} @2zoom 1.2 @2zslab 200 @2center 44.421 2.777 .021 @2matrix 0.000780 -.999878 .015622 -.552158 -.013455 -.833631 .833739 -.007975 -.5521 @3viewid {front, DNA} @3zoom 1.2 @3zslab 200 @3center 44.421 2.777 .021 @3matrix -0.012064 -.999916 .004797 .79802 -.012519 -.602502 .602511 -.00344 .798103 @4viewid {DNA site} @4zoom 1.68 @4zslab 90 @4center 11.668 .667 -3.144 @4matrix -0.004497 -.013026 .999904 .955103 .296163 .008153 -.296241 .955049 .011108 @5viewid {minor groove} @5zoom 3.06 @5zslab 130 @5center 14.953 -.024 -.033 @5matrix -0.004497 -.013026 .999904 .955103 .296163 .008153 -.296241 .955049 .011108 @6viewid {major groove} @6zoom 5.21 @6zslab 150 @6center 10.141 14.413 13.732 @6matrix -0.9118 .04816 .40781 .39109 -.20098 .89814 .12522 .97841 .16441 @7viewid {purine site} @7zoom 5.9 @7zslab 200 @7center 57.231 4.740 -11.524 @7matrix 0.280627 -.959569 .0218 .008797 -.020141 -.999759 .959777 .280751 .00279 @group {PurR sub a} @subgroup {N-term dom} dominant @balllist {N} color= sky radius= .1 {n ser a 14}9.728 7.845 17.176 @vectorlist {N-term dom} color= pink {ca thr a 3}P 17.180 -2.102 13.371 {ca ile a 4}16.614 1.653 13.545 {ca lys a 5}13.005 0.429 14.018 {ca asp a 6}14.226 -1.496 16.929 {ca val a 7}15.886 1.540 18.265 {ca ala a 8}12.870 3.792 17.894 {ca lys a 9}10.847 1.289 19.882 {ca arg a 10}13.149 0.800 22.845 {ca ala a 11}12.955 4.571 23.034 {ca asn a 12}9.304 4.939 22.117 {ca val a 13}9.787 7.551 19.536 {c val a 13}9.855 6.976 18.150 {o val a 13}10.013 5.777 17.971 {c val a 13}P 9.855 6.976 18.150 {n ser a 14}9.728 7.845 17.176 {ca ser a 14}9.744 7.392 15.817 {ca thr a 15}12.548 6.173 13.652 {ca thr a 16}12.252 9.628 12.120 {ca thr a 17}13.099 11.094 15.529 {ca val a 18}15.850 8.519 15.824 {ca ser a 19}17.357 9.427 12.564 {ca his a 20}16.965 12.998 13.477 {ca val a 21}19.097 12.665 16.494 {ca ile a 22}21.602 10.399 14.972 {ca asn a 23}22.280 13.062 12.466 {ca lys a 24}21.370 16.272 14.270 {ca thr a 25}19.286 17.188 11.386 {ca arg a 26}16.466 18.956 13.185 {ca phe a 27}16.074 19.940 16.944 {ca val a 28}15.014 17.251 19.467 {ca ala a 29}14.215 17.559 23.126 {ca glu a 30}17.176 16.533 25.327 {ca glu a 31}14.899 14.184 27.179 {ca thr a 32}13.861 12.507 24.000 {ca arg a 33}17.506 12.781 22.564 {ca asn a 34}19.121 10.889 25.450 {ca ala a 35}16.622 8.205 25.356 {ca val a 36}17.465 7.572 21.708 {ca trp a 37}21.101 7.348 22.608 {ca ala a 38}20.250 5.148 25.544 {ca ala a 39}18.657 2.668 23.220 {ca ile a 40}21.254 3.373 20.528 {ca lys a 41}23.706 2.014 23.075 {ca glu a 42}22.081 -1.014 24.773 {ca leu a 43}20.867 -2.332 21.490 {ca his a 44}24.416 -1.754 20.334 {ca tyr a 45}23.310 0.028 17.159 {ca ser a 46}25.425 0.508 14.106 {ca pro a 47}23.570 2.587 11.629 {ca ser a 48}23.770 1.030 8.154 {ca ala a 49}25.524 3.096 5.516 {ca val a 50}24.253 0.899 2.861 {ca ala a 51}20.740 1.849 3.590 {ca arg a 52}21.739 5.477 3.849 {ca ser a 53}23.709 5.647 0.719 {ca leu a 54}20.799 3.868 -0.845 {ca lys a 55}18.753 6.967 -0.160 {ca val a 56}21.053 9.996 0.041 {ca asn a 57}22.844 8.747 -3.087 {ca his a 58}26.514 8.888 -2.362 @vectorlist {Hb} color= purple {nh1 arg a 26}P U 10.01 16.206 11.496 {o6 g b 702} U 9.159 15.714 11.138 {n7 g b 702}P U 8.451 13.863 13.218 {nh2 arg a 26} U 9.84 14.96 13.583 {og1 thr a 17}P U 10.491 11.228 17.13 {o2p g b 702} U 9.68 10.899 17.394 {n ser a 14}P U 9.567 8.519 17.277 {o2p g b 702} U 9.22 9.974 17.496 {o2p g b 702}P U 9.089 10.382 16.95 {og ser a 14} U 9.14 9.944 15.885 {nz lys a 55}P U 13.694 7.97 -.272 {n3 a b 706} U 12.615 6.577 .375 @subgroup {core d1} dominant @vectorlist {core d1} color= sea {ca his a 58}P 26.514 8.888 -2.362 {ca thr a 59}28.751 6.477 -0.661 {ca lys a 60}31.334 8.745 0.868 {ca ser a 61}33.760 6.225 -0.506 {ca ile a 62}36.474 6.745 -3.173 {ca gly a 63}38.267 4.278 -5.437 {ca leu a 64}41.982 3.961 -6.307 {ca leu a 65}42.418 2.149 -9.551 {ca ala a 66}46.117 1.692 -9.260 {ca thr a 67}48.840 -0.227 -10.909 {ca ser a 68}50.518 -1.963 -7.990 {ca ser a 69}51.074 -0.975 -4.354 {ca glu a 70}54.260 -2.615 -3.052 {ca ala a 71}56.358 -0.426 -5.292 {ca ala a 72}57.847 2.117 -2.978 {ca tyr a 73}57.068 5.073 -5.220 {ca phe a 74}53.447 3.996 -5.468 {ca ala a 75}53.135 3.021 -1.926 {ca glu a 76}54.107 6.357 -0.938 {ca ile a 77}51.447 8.147 -2.933 {ca ile a 78}48.777 5.819 -1.805 {ca glu a 79}49.535 6.305 1.847 {ca ala a 80}49.072 9.963 1.081 {ca val a 81}45.753 9.639 -0.609 {ca glu a 82}44.444 7.446 2.207 {ca lys a 83}45.402 10.199 4.721 {ca asn a 84}43.254 12.566 2.790 {ca cys a 85}40.362 10.172 2.550 {ca phe a 86}40.343 9.569 6.256 {ca gln a 87}40.704 13.247 6.843 {ca lys a 88}37.647 14.324 4.967 {ca gly a 89}35.637 11.252 6.056 {ca tyr a 90}35.973 9.110 2.891 {ca thr a 91}36.557 5.372 2.606 {ca leu a 92}39.386 4.180 0.200 {ca ile a 93}38.908 1.159 -2.011 {ca leu a 94}42.191 0.140 -3.291 {ca gly a 95}42.479 -1.750 -6.560 {ca asn a 96}45.588 -2.981 -8.339 {ca ala a 97}45.136 -3.901 -12.025 {ca trp a 98}48.706 -4.537 -12.734 {ca asn a 99}48.579 -2.947 -16.051 {ca asn a 100}46.152 -5.696 -16.923 {ca leu a 101}43.437 -4.543 -19.186 {ca glu a 102}40.827 -7.182 -18.213 {ca lys a 103}41.897 -6.666 -14.721 {ca gln a 104}41.234 -3.132 -15.306 {ca arg a 105}37.881 -3.404 -16.939 {ca ala a 106}37.007 -5.629 -13.988 {ca tyr a 107}37.910 -3.292 -11.190 {ca leu a 108}36.427 -0.348 -13.038 {ca ser a 109}33.165 -2.154 -13.100 {ca met a 110}33.192 -3.394 -9.488 {ca met a 111}33.782 0.120 -8.552 {ca ala a 112}30.958 1.728 -10.500 {ca gln a 113}28.771 -0.976 -9.214 {ca lys a 114}29.812 -0.244 -5.594 {ca arg a 115}29.157 3.402 -6.617 {ca val a 116}32.184 5.254 -5.533 {ca asp a 117}31.676 9.007 -5.286 {ca gly a 118}34.830 9.573 -7.439 {ca leu a 119}37.681 7.618 -9.056 {ca leu a 120}41.435 8.286 -8.550 {ca val a 121}43.358 6.700 -11.518 {ca met a 122}46.992 5.557 -11.533 {ca cys a 123}47.346 3.174 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2.551 {c6 g b 708}P 13.544 0.791 2.953 {n1 g b 708}14.385 1.690 2.273 {c2 g b 708}15.668 2.013 2.659 {n2 g b 708}16.299 2.891 1.853 {c2 g b 708}P 15.668 2.013 2.659 {n3 g b 708}16.276 1.515 3.746 {c4 g b 708}15.472 0.604 4.382 {c5 g b 708}14.178 0.226 4.085 {n9 g b 708}P 15.794 -0.114 5.507 {c4 g b 708}15.472 0.604 4.382 {c5 g b 708}14.178 0.226 4.085 {c4 g b 708}15.472 0.604 4.382 {c5 g b 708}14.178 0.226 4.085 {c4 g b 708}P 15.472 0.604 4.382 {n3 g b 708}16.276 1.515 3.746 {c1* t b 709}P 17.216 4.240 5.837 {n1 t b 709}15.777 4.085 5.576 {c2 t b 709}14.936 4.520 4.591 {o2 t b 709}15.300 5.215 3.660 {c2 t b 709}P 14.936 4.520 4.591 {n3 t b 709}13.639 4.113 4.751 {c4 t b 709}13.131 3.338 5.777 {o4 t b 709}11.948 3.012 5.766 {c4 t b 709}P 13.131 3.338 5.777 {c5 t b 709}14.076 2.960 6.788 {c5m t b 709}13.630 2.178 7.971 {n1 t b 709}P 15.777 4.085 5.576 {c6 t b 709}15.338 3.350 6.647 {c5 t b 709}14.076 2.960 6.788 {c6 t b 709}15.338 3.350 6.647 {c5 t b 709}14.076 2.960 6.788 {c1* t b 710}P 15.840 9.711 5.006 {n1 t b 710}14.874 8.866 5.744 {c2 t b 710}13.729 8.611 4.999 {o2 t b 710}13.531 9.133 3.911 {c2 t b 710}P 13.729 8.611 4.999 {n3 t b 710}12.811 7.752 5.585 {c4 t b 710}12.926 7.165 6.843 {o4 t b 710}12.022 6.450 7.277 {c4 t b 710}P 12.926 7.165 6.843 {c5 t b 710}14.152 7.476 7.555 {c5m t b 710}14.409 6.933 8.935 {n1 t b 710}P 14.874 8.866 5.744 {c6 t b 710}15.065 8.287 6.971 {c5 t b 710}14.152 7.476 7.555 {c6 t b 710}15.065 8.287 6.971 {c5 t b 710}14.152 7.476 7.555 {c1* t b 711}P 12.621 13.265 4.379 {n1 t b 711}12.731 12.502 5.642 {c2 t b 711}11.580 11.805 5.382 {o2 t b 711}10.903 11.986 4.388 {c2 t b 711}P 11.580 11.805 5.382 {n3 t b 711}11.248 10.900 6.347 {c4 t b 711}11.932 10.635 7.519 {o4 t b 711}11.519 9.793 8.313 {c4 t b 711}P 11.932 10.635 7.519 {c5 t b 711}13.123 11.403 7.723 {c5m t b 711}13.930 11.152 8.960 {n1 t b 711}P 12.731 12.502 5.642 {c6 t b 711}13.461 12.295 6.788 {c5 t b 711}13.123 11.403 7.723 {c6 t b 711}13.461 12.295 6.788 {c5 t b 711}13.123 11.403 7.723 {c1* t b 712}P 8.379 15.745 3.098 {n1 t b 712}8.734 15.305 4.477 {c2 t b 712}7.859 14.285 4.849 {o2 t b 712}6.935 13.898 4.167 {c2 t b 712}P 7.859 14.285 4.849 {n3 t b 712}8.089 13.724 6.082 {c4 t b 712}9.074 14.125 6.976 {o4 t b 712}9.184 13.590 8.068 {c4 t b 712}P 9.074 14.125 6.976 {c5 t b 712}9.954 15.175 6.531 {c5m t b 712}11.041 15.610 7.470 {n1 t b 712}P 8.734 15.305 4.477 {c6 t b 712}9.765 15.720 5.310 {c5 t b 712}9.954 15.175 6.531 {c6 t b 712}9.765 15.720 5.310 {c5 t b 712}9.954 15.175 6.531 {c1* c b 713}P 4.657 17.393 5.149 {n1 c b 713}5.756 17.417 6.102 {c2 c b 713}5.427 16.458 7.075 {o2 c b 713}4.390 15.771 6.910 {c2 c b 713}P 5.427 16.458 7.075 {n3 c b 713}6.282 16.292 8.129 {c4 c b 713}7.381 17.051 8.197 {n4 c b 713}8.191 16.877 9.229 {c4 c b 713}P 7.381 17.051 8.197 {c5 c b 713}7.710 18.043 7.221 {c6 c b 713}6.869 18.200 6.193 {c5 c b 713}7.710 18.043 7.221 {n1 c b 713}P 5.756 17.417 6.102 {c6 c b 713}6.869 18.200 6.193 {c5 c b 713}7.710 18.043 7.221 {c1* g b 714}P 1.837 17.306 8.410 {n9 g b 714}2.944 18.245 8.579 {c8 g b 714}3.475 19.321 7.909 {n7 g b 714}4.544 19.828 8.455 {c5 g b 714}4.720 19.038 9.590 {c6 g b 714}5.714 19.111 10.583 {o6 g b 714}6.648 19.928 10.637 {c6 g b 714}P 5.714 19.111 10.583 {n1 g b 714}5.558 18.113 11.550 {c2 g b 714}4.557 17.173 11.561 {n2 g b 714}4.603 16.301 12.579 {c2 g b 714}P 4.557 17.173 11.561 {n3 g b 714}3.607 17.089 10.633 {c4 g b 714}3.752 18.054 9.684 {c5 g b 714}4.720 19.038 9.590 {n9 g b 714}P 2.944 18.245 8.579 {c4 g b 714}3.752 18.054 9.684 {c5 g b 714}4.720 19.038 9.590 {c4 g b 714}3.752 18.054 9.684 {c5 g b 714}4.720 19.038 9.590 {c4 g b 714}P 3.752 18.054 9.684 {n3 g b 714}3.607 17.089 10.633 {c1* t b 715}P -0.171 19.230 13.086 {n1 t b 715}1.189 19.751 12.847 {c2 t b 715}2.339 19.546 13.569 {o2 t b 715}2.404 18.743 14.484 {c2 t b 715}P 2.339 19.546 13.569 {n3 t b 715}3.417 20.276 13.130 {c4 t b 715}3.447 21.172 12.069 {o4 t b 715}4.491 21.764 11.782 {c4 t b 715}P 3.447 21.172 12.069 {c5 t b 715}2.194 21.354 11.382 {c5m t b 715}2.127 22.300 10.217 {n1 t b 715}P 1.189 19.751 12.847 {c6 t b 715}1.137 20.645 11.799 {c5 t b 715}2.194 21.354 11.382 {c6 t b 715}1.137 20.645 11.799 {c5 t b 715}2.194 21.354 11.382 @kinemage 7 @caption (B&T Fig. 8.24) CAP protein dimer - animation of conformational change between free form and DNA complex. Helix-turn-helix motifs are highlighted in skyblue and red, while subunit a is in pinks and subunit b in greens. Cyclic AMP is in purple. (from PDB files 3GAP, 1CGP) @onewidth @viewid {FIG. 8.24} @zoom 1.1 @zslab 130 @center 34.948 57.16 -2.617 @matrix -.81113 .510903 -.284686 .366464 .06461 -.928186 -.45582 -.857207 -.239634 @2viewid {DNA} @2zoom 1.25 @2zslab 230 @2center 37.477 57.16 -2.617 @2matrix -.330717 -.924639 -.188862 -.193194 -.129552 .97257 -.923744 .358131 -.13579 @3viewid {hlx-t-hlx} @3zoom 3.01 @3zslab 260 @3center 31.597 59.32 -15.517 @3matrix -.693988 .665724 -.274211 .411787 .054588 -.909644 -.590603 -.744198 -.312019 @4viewid {subunit b} @4zoom 1.5 @4zslab 90 @4center 18.735 60.32 -4.474 @4matrix 0.930689 .310154 -.193957 .294642 -.321351 .899955 .216797 -.894727 -.390464 @master {tails} @master {sub 1} @master {hlx-t-hlx} @master {sub 2} @master {cAMP} @master {DNA} @group {CAP/DNA} dominant animate @vectorlist {Calphas} color= pink master= {sub 1} {ca pro c 9}P 31.30 56.105 32.474 {ca thr c 10}28.528 54.017 30.858 {ca leu c 11}31.625 52.524 29.280 {ca glu c 12}32.814 50.465 32.298 {ca trp c 13}29.363 49.077 32.953 {ca phe c 14}29.349 47.966 29.329 {ca leu c 15}32.885 46.492 29.348 {ca ser c 16}32.309 44.372 32.446 {ca his c 17}30.333 41.988 30.235 {ca cys c 18}32.686 41.571 27.449 {ca his c 19}35.385 38.909 27.122 {ca ile c 20}38.533 40.89 26.658 {ca his c 21}40.966 39.121 24.238 {ca lys c 22}44.441 40.103 22.998 {ca tyr c 23}45.313 40.009 19.285 {ca pro c 24}48.947 40.021 17.975 {ca ser c 25}50.068 42.238 15.115 {ca lys c 26}48.715 40.951 11.798 {ca ser c 27}46.142 38.727 13.373 {ca thr c 28}42.979 38.735 11.421 {ca leu c 29}40.01 39.232 13.630 {ca ile c 30}37.107 39.698 11.212 {ca his c 31}37.196 38.014 7.839 {ca gln c 32}34.693 39.676 5.507 {ca gly c 33}31.954 37.234 4.692 {ca glu c 34}31.888 35.74 8.297 {ca lys c 35}28.433 35.866 9.919 {ca ala c 36}28.156 38.796 12.210 {ca glu c 37}27.336 37.77 15.777 {ca thr c 38}29.776 39.64 17.998 {ca leu c 39}30.419 43.358 18.493 {ca tyr c 40}34.018 44.30 19.527 {ca tyr c 41}35.441 47.369 21.298 {ca ile c 42}39.12 48.322 20.906 {ca val c 43}40.522 48.697 24.394 {ca lys c 44}44.106 49.108 23.203 {ca gly c 45}45.773 49.064 19.814 {ca ser c 46}45.184 49.858 16.159 {ca val c 47}43.39 48.035 13.406 {ca ala c 48}42.982 48.461 9.599 {ca val c 49}39.642 47.943 7.974 {ca leu c 50}40.13 46.701 4.402 {ca ile c 51}38.321 45.138 1.405 {ca lys c 52}39.917 43.105 -1.364 {ca asp c 53}38.864 42.28 -4.938 {ca glu c 54}38.452 38.604 -6.020 {ca glu c 55}41.582 39.006 -8.172 {ca gly c 56}43.599 40.073 -5.070 {ca lys c 57}43.925 43.906 -4.946 {ca glu c 58}43.011 45.395 -1.572 {ca met c 59}42.12 48.842 -0.368 {ca ile c 60}42.133 50.248 3.162 {ca leu c 61}38.852 51.75 4.080 {ca ser c 62}40.268 53.129 7.426 {ca tyr c 63}42.449 52.716 10.385 {ca leu c 64}40.36 52.385 13.521 {ca asn c 65}42.292 53.015 16.811 {ca gln c 66}41.449 52.425 20.481 {ca gly c 67}38.147 53.563 21.738 {ca asp c 68}36.397 52.489 18.513 {ca phe c 69}33.789 49.876 18.164 {ca ile c 70}34.561 47.213 15.502 {ca gly c 71}31.716 45.061 14.033 {ca glu c 72}28.779 47.462 14.615 {ca leu c 73}27.127 47.03 11.234 {ca gly c 74}25.514 43.628 11.964 {ca leu c 75}23.898 44.719 15.274 {ca phe c 76}20.921 46.10 13.543 {ca glu c 77}19.79 43.426 11.060 {ca glu c 78}19.50 39.746 11.680 {ca gly c 79}21.801 37.515 9.690 {ca gln c 80}24.353 39.711 7.944 {ca glu c 81}27.851 38.981 6.802 {ca arg c 82}30.799 41.024 8.042 {ca ser c 83}31.409 43.861 5.544 {ca ala c 84}35.187 44.144 5.500 {ca trp c 85}38.343 42.521 6.939 {ca val c 86}39.668 44.037 10.116 {ca arg c 87}43.306 43.019 10.628 {ca ala c 88}45.254 44.096 13.759 {ca lys c 89}47.933 46.623 12.815 {ca thr c 90}49.334 46.227 16.299 {ca ala c 91}48.776 44.348 19.492 {ca cys c 92}45.12 44.90 20.272 {ca glu c 93}43.288 44.368 23.517 {ca val c 94}39.795 43.928 22.044 {ca ala c 95}36.58 43.524 24.069 {ca glu c 96}33.872 41.095 22.745 {ca ile c 97}30.015 41.068 23.433 {ca ser c 98}27.332 38.789 22.009 {ca tyr c 99}25.03 40.821 19.727 {ca lys c 100}21.984 39.447 21.550 {ca lys c 101}23.441 40.572 24.787 {ca phe c 102}24.427 44.068 23.577 {ca arg c 103}20.783 44.41 22.531 {ca gln c 104}20.026 43.966 26.217 {ca leu c 105}22.482 46.56 27.371 {ca ile c 106}20.813 49.183 25.088 {ca gln c 107}17.409 48.682 26.794 {ca val c 108}19.263 48.979 30.081 {ca asn c 109}21.061 52.253 28.997 {ca pro c 110}20.792 54.072 25.636 {ca asp c 111}24.071 56.076 26.068 {ca ile c 112}26.205 53.208 24.661 {ca leu c 113}23.865 52.958 21.587 {ca met c 114}24.395 56.714 21.350 {ca arg c 115}28.283 56.58 21.626 {ca leu c 116}28.191 53.845 18.958 {ca ser c 117}25.852 55.535 16.478 {ca ala c 118}27.982 58.652 16.831 {ca gln c 119}30.958 56.591 15.681 {ca met c 120}29.027 55.211 12.705 {ca ala c 121}27.926 58.791 11.803 {ca arg c 122}31.462 60.106 11.652 {ca arg c 123}32.252 57.035 9.614 {ca leu c 124}29.493 57.763 7.120 {ca gln c 125}31.007 61.225 6.952 {ca val c 126}34.57 60.144 6.170 {ca thr c 127}33.62 57.288 3.787 {ca ser c 128}31.50 59.645 1.628 {ca glu c 129}34.59 61.831 1.437 {ca lys c 130}36.784 58.898 0.275 {ca val c 131}34.196 58.22 -2.440 {ca gly c 132}34.556 61.904 -3.380 {ca asn c 133}38.399 61.812 -3.690 {ca leu c 134}38.374 58.653 -5.822 {ca ala c 135}35.794 60.16 -8.164 {ca phe c 136}37.126 63.662 -8.296 {ca leu c 137}40.817 63.874 -7.525 {ca asp c 138}43.727 62.441 -9.471 {ca val c 139}46.358 60.336 -7.616 {ca thr c 140}48.629 63.265 -6.928 {ca gly c 141}45.76 64.98 -5.162 {ca arg c 142}44.639 61.794 -3.465 {ca ile c 143}48.199 60.988 -2.140 {ca ala c 144}48.415 64.69 -1.158 {ca gln c 145}45.26 64.585 0.983 {ca thr c 146}46.596 61.266 2.380 {ca leu c 147}49.977 62.571 3.512 {ca leu c 148}48.141 65.415 5.054 {ca asn c 149}45.623 63.312 6.999 {ca leu c 150}48.167 60.757 8.167 {ca ala c 151}50.068 63.737 9.665 {ca lys c 152}47.069 64.337 11.952 {ca gln c 153}46.453 60.636 12.883 {ca pro c 154}47.499 59.812 16.492 {ca asp c 155}50.991 58.388 15.932 {ca ala c 156}52.371 61.206 13.841 {ca met c 157}55.566 62.052 15.553 {ca thr c 158}56.702 65.643 15.210 {ca his c 159}59.967 66.257 13.343 {ca pro c 160}60.974 69.615 14.732 {ca asp c 161}59.232 71.596 12.032 {ca gly c 162}56.905 69.374 10.179 {ca met c 163}55.114 66.154 10.975 {ca gln c 164}56.732 62.801 10.761 {ca ile c 165}54.766 59.705 9.807 {ca lys c 166}56.223 56.288 9.046 {ca ile c 167}54.268 54.612 6.230 {ca thr c 168}55.548 52.522 3.358 {ca asn c 194}P 59.551 70.812 -1.671 {ca leu c 195}56.369 69.507 0.054 {ca ile c 196}57.442 66.039 1.082 {ca ser c 197}60.818 64.938 2.463 {ca ala c 198}61.176 61.108 2.263 {ca his c 199}63.356 58.106 3.081 {ca gly c 200}61.156 55.146 4.444 {ca lys c 201}59.34 57.527 6.837 {ca thr c 202}57.941 60.86 5.544 {ca ile c 203}58.03 64.319 6.941 {ca val c 204}55.045 66.106 5.666 {ca val c 205}55.814 69.805 5.805 @vectorlist {hth} color= sky master= {hlx-t-hlx} {ca thr c 168}P 55.548 52.522 3.358 {ca arg c 169}54.883 53.342 -0.298 {ca gln c 170}52.844 50.057 -0.141 {ca glu c 171}50.362 51.391 2.410 {ca ile c 172}49.77 54.725 0.760 {ca gly c 173}49.228 52.696 -2.416 {ca gln c 174}46.447 50.834 -0.613 {ca ile c 175}44.979 54.095 0.703 {ca val c 176}44.931 56.031 -2.447 {ca gly c 177}44.312 53.363 -5.069 @vectorlist {hth} color= white master= {hlx-t-hlx} {ca gly c 177}P 44.312 53.363 -5.069 {ca cys c 178}47.347 53.209 -7.352 {ca ser c 179}50.551 51.022 -7.567 @vectorlist {hth} color= red master= {hlx-t-hlx} {ca ser c 179}P 50.551 51.022 -7.567 {ca arg c 180}53.50 51.352 -5.084 {ca glu c 181}55.478 52.258 -8.116 {ca thr c 182}53.204 55.187 -8.939 {ca val c 183}53.149 56.161 -5.309 {ca gly c 184}56.961 56.376 -5.473 {ca arg c 185}56.86 58.209 -8.781 {ca ile c 186}54.662 60.957 -7.314 {ca leu c 187}56.264 61.167 -3.809 {ca lys c 188}59.504 62.259 -5.600 {ca met c 189}57.418 64.783 -7.624 {ca leu c 190}56.241 66.118 -4.263 {ca glu c 191}59.95 66.139 -3.098 {ca asp c 192}61.119 68.216 -6.168 {ca gln c 193}58.162 70.466 -5.312 {ca asn c 194}59.551 70.812 -1.671 @vectorlist {cAMP 1} color= purple master= {cAMP} {p cmp 1}P 30.904 44.446 10.242 {o1p cmp 1}30.168 44.651 8.974 {p cmp 1}P 30.904 44.446 10.242 {o2p cmp 1}30.287 43.676 11.335 {p cmp 1}P 30.904 44.446 10.242 {o5* cmp 1}32.294 43.822 9.881 {c5* cmp 1}33.292 44.587 9.225 {c4* cmp 1}33.55 45.782 10.033 {o4* cmp 1}34.507 46.673 9.455 {c1* cmp 1}34.098 47.998 9.822 {n9 cmp 1}33.907 48.851 8.618 {c4 cmp 1}34.34 50.141 8.527 {n3 cmp 1}35.034 50.792 9.473 {c2 cmp 1}35.277 52.013 9.051 {n1 cmp 1}34.957 52.63 7.921 {c6 cmp 1}34.259 51.956 7.009 {n6 cmp 1}33.877 52.561 5.887 {1h6 cmp 1}33.439 52.013 5.153 {n6 cmp 1}P 33.877 52.561 5.887 {2h6 cmp 1}33.955 53.56 5.756 {c4 cmp 1}P 34.34 50.141 8.527 {c5 cmp 1}33.927 50.622 7.316 {n7 cmp 1}33.236 49.633 6.612 {n9 cmp 1}P 33.907 48.851 8.618 {c8 cmp 1}33.255 48.608 7.424 {c1* cmp 1}P 34.098 47.998 9.822 {c2* cmp 1}32.763 47.888 10.596 {o2* cmp 1}33.037 47.825 12.004 {h2* cmp 1}33.611 48.577 12.194 {c4* cmp 1}P 33.55 45.782 10.033 {c3* cmp 1}32.29 46.56 10.042 {p cmp 1}P 30.904 44.446 10.242 {o3* cmp 1}31.358 45.853 10.849 {c6 cmp 1}P 34.259 51.956 7.009 {c5 cmp 1}33.927 50.622 7.316 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50.761 11.326 {ca gln d 329}19.737 53.262 8.487 {ca met d 330}23.156 54.665 9.382 {ca ala d 331}24.602 51.083 9.304 {ca arg d 332}23.197 50.43 5.754 {ca arg d 333}24.434 53.681 4.214 {ca leu d 334}27.946 52.923 5.591 {ca gln d 335}27.663 49.417 4.245 {ca val d 336}26.713 50.508 0.722 {ca thr d 337}29.093 53.444 0.602 {ca ser d 338}31.941 51.083 1.587 {ca glu d 339}30.816 49.078 -1.422 {ca lys d 340}31.017 52.29 -3.545 {ca val d 341}34.616 52.938 -2.480 {ca gly d 342}35.235 49.296 -3.498 {ca asn d 343}33.582 49.633 -6.892 {ca leu d 344}35.283 52.966 -7.609 {ca ala d 345}38.593 51.252 -6.901 {ca phe d 346}38.269 47.754 -8.370 {ca leu d 347}35.855 47.98 -11.263 {ca asp d 348}36.164 49.681 -14.633 {ca val d 349}33.43 52.06 -15.851 {ca thr d 350}31.667 49.361 -17.843 {ca gly d 351}31.426 47.199 -14.738 {ca arg d 352}30.269 50.128 -12.674 {ca ile d 353}27.51 50.852 -15.204 {ca ala d 354}26.556 47.164 -15.087 {ca gln d 355}26.339 47.172 -11.269 {ca thr d 356}24.293 50.384 -11.448 {ca leu d 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410}15.49 57.461 -22.264 {ca lys d 411}13.894 54.378 -20.560 {ca thr d 412}16.34 51.431 -20.266 {ca ile d 413}15.417 47.812 -19.701 {ca val d 414}17.905 45.735 -17.811 {ca val d 415}16.821 42.416 -19.319 @vectorlist {hth} color= sky master= {hlx-t-hlx} {ca thr d 378}P 19.426 59.587 -18.151 {ca arg d 379}22.976 58.867 -19.334 {ca gln d 380}23.902 61.979 -17.348 {ca glu d 381}22.476 60.476 -14.131 {ca ile d 382}24.288 57.179 -14.688 {ca gly d 383}27.479 59.147 -15.362 {ca gln d 384}27.036 61.008 -12.073 {ca ile d 385}26.467 57.754 -10.170 {ca val d 386}29.393 55.99 -11.883 {ca gly d 387}32.033 58.658 -12.311 @vectorlist {hth} color= white master= {hlx-t-hlx} {ca gly d 387}P 32.033 58.658 -12.311 {ca cys d 388}32.353 59.244 -16.106 {ca ser d 389}31.05 61.475 -19.012 @vectorlist {hth} color= red master= {hlx-t-hlx} {ca ser d 389}P 31.05 61.475 -19.012 {ca arg d 390}27.481 61.238 -20.247 {ca glu d 391}28.902 60.263 -23.584 {ca thr d 392}31.136 57.578 -21.927 {ca val d 393}27.906 56.181 -20.512 {ca gly d 394}26.47 56.438 -24.031 {ca arg d 395}29.318 54.484 -25.577 {ca ile d 396}28.913 51.645 -23.076 {ca leu d 397}25.124 51.519 -23.174 {ca lys d 398}25.518 51.067 -26.925 {ca met d 399}27.854 48.136 -26.235 {ca leu d 400}25.444 46.504 -23.732 {ca glu d 401}22.544 46.896 -26.221 {ca asp d 402}24.605 45.179 -28.970 {ca gln d 403}25.143 42.337 -26.561 {ca asn d 404}21.403 41.942 -26.050 @vectorlist {cAMP 2} color= purple master= {cAMP} {p cmp 2}P 23.678 65.72 6.729 {o1p cmp 2}24.997 65.81 7.389 {p cmp 2}P 23.678 65.72 6.729 {o2p cmp 2}22.572 66.557 7.224 {p cmp 2}P 23.678 65.72 6.729 {o5* cmp 2}23.953 66.221 5.219 {c5* cmp 2}23.624 65.422 4.078 {c4* cmp 2}22.761 64.255 4.483 {o4* cmp 2}22.618 63.29 3.431 {c1* cmp 2}22.748 61.982 3.990 {n9 cmp 2}24.022 61.342 3.578 {c4 cmp 2}24.132 60.088 3.039 {n3 cmp 2}23.123 59.224 2.814 {c2 cmp 2}23.586 58.108 2.271 {n1 cmp 2}24.831 57.774 1.957 {c6 cmp 2}25.821 58.656 2.196 {n6 cmp 2}27.08 58.324 1.912 {1h6 cmp 2}27.855 58.962 2.083 {n6 cmp 2}P 27.08 58.324 1.912 {2h6 cmp 2}27.267 57.405 1.546 {c4 cmp 2}P 24.132 60.088 3.039 {c5 cmp 2}25.456 59.888 2.769 {n7 cmp 2}26.193 61.006 3.137 {n9 cmp 2}P 24.022 61.342 3.578 {c8 cmp 2}25.303 61.824 3.604 {c1* cmp 2}P 22.748 61.982 3.990 {c2* cmp 2}22.72 62.223 5.491 {o2* cmp 2}21.373 62.395 5.925 {h2* cmp 2}20.916 61.59 5.656 {c4* cmp 2}P 22.761 64.255 4.483 {c3* cmp 2}23.434 63.52 5.597 {p cmp 2}P 23.678 65.72 6.729 {o3* cmp 2}23.163 64.193 6.798 {c6 cmp 2}P 25.821 58.656 2.196 {c5 cmp 2}25.456 59.888 2.769 {n7 cmp 2}P 26.193 61.006 3.137 {c8 cmp 2}25.303 61.824 3.604 {c2* cmp 2}P 22.72 62.223 5.491 {c3* cmp 2}23.434 63.52 5.597 {o3* cmp 2}23.163 64.193 6.798 @subgroup {DNA} master= {DNA} @vectorlist {piece 1} color= yellow {c4* g a 3}P 36.618 61.801 -18.510 {c1* g a 3}37.637 61.564 -20.547 {c4* g a 3}P 36.618 61.801 -18.510 {p t a 4}35.263 65.287 -19.592 {c4* t a 4}37.682 67.085 -22.125 {c1* t a 4}37.478 66.255 -24.237 {c4* t a 4}P 37.682 67.085 -22.125 {p c a 5}35.925 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74.642 5.903 {ca lys b 35}25.419 74.441 9.650 {ca ala b 36}23.464 71.299 10.604 {ca glu b 37}20.884 71.702 13.396 {ca thr b 38}17.698 70.077 11.919 {ca leu b 39}16.91 66.479 10.880 {ca tyr b 40}14.608 65.046 8.169 {ca tyr b 41}12.322 62.066 7.516 {ca ile b 42}10.902 61.49 3.943 {ca val b 43}7.165 60.633 3.674 {ca lys b 44}6.548 60.237 -0.055 {ca gly b 45}9.514 61.006 -2.277 {ca ser b 46}12.795 60.33 -3.867 {ca val b 47}15.741 62.354 -2.741 {ca ala b 48}19.301 61.902 -4.086 {ca val b 49}22.464 62.524 -1.993 {ca leu b 50}25.174 64.269 -4.020 {ca ile b 51}28.611 65.79 -4.026 {ca lys b 52}30.04 68.474 -6.299 {ca asp b 53}33.612 69.372 -7.099 {ca glu b 54}35.59 72.504 -7.829 {ca glu b 55}36.523 71.892 -11.428 {ca gly b 56}33.001 70.762 -12.218 {ca lys b 57}30.123 68.775 -10.808 {ca glu b 58}28.281 65.836 -9.253 {ca met b 59}28.563 62.18 -8.248 {ca ile b 60}25.546 60.455 -6.581 {ca leu b 61}26.065 58.906 -3.121 {ca ser b 62}22.728 57.342 -2.449 {ca tyr b 63}19.097 57.422 -3.349 {ca leu b 64}16.758 57.497 -0.341 {ca asn b 65}12.96 57.233 -0.695 {ca gln b 66}10.045 57.153 1.810 {ca gly b 67}10.944 56.147 5.355 {ca asp b 68}14.465 57.546 4.849 {ca phe b 69}16.131 59.932 7.298 {ca ile b 70}18.067 62.698 5.484 {ca gly b 71}20.159 64.889 7.858 {ca glu b 72}21.277 62.482 10.590 {ca leu b 73}25.02 63.043 10.432 {ca gly b 74}25.39 66.147 12.557 {ca leu b 75}22.903 65.074 15.206 {ca phe b 76}25.529 63.307 17.182 {ca glu b 77}28.028 66.164 17.075 {ca glu b 78}27.786 69.845 17.723 {ca gly b 79}29.128 72.214 15.169 {ca gln b 80}28.551 70.048 12.154 {ca glu b 81}28.344 70.863 8.499 {ca arg b 82}25.971 69.309 5.978 {ca ser b 83}28.234 66.913 4.053 {ca ala b 84}26.193 66.328 0.911 {ca trp b 85}23.54 67.981 -1.304 {ca val b 86}20.043 66.403 -1.535 {ca arg b 87}18.031 67.365 -4.638 {ca ala b 88}14.391 66.267 -4.642 {ca lys b 89}14.215 64.188 -7.848 {ca thr b 90}10.499 63.896 -7.250 {ca ala b 91}7.842 65.969 -5.537 {ca cys b 92}8.752 64.746 -2.055 {ca glu b 93}7.464 65.718 1.383 {ca val b 94}9.838 65.743 4.301 {ca ala b 95}8.762 65.911 7.962 {ca glu b 96}11.409 67.984 9.841 {ca ile b 97}12.775 68.534 13.395 {ca ser b 98}15.219 70.594 15.434 {ca tyr b 99}17.96 68.185 16.624 {ca lys b 100}17.059 69.293 20.208 {ca lys b 101}13.468 67.934 19.845 {ca phe b 102}14.853 64.718 18.294 {ca arg b 103}17.518 64.22 20.916 {ca gln b 104}14.544 64.783 23.248 {ca leu b 105}12.16 62.133 21.826 {ca ile b 106}15.017 59.67 21.955 {ca gln b 107}15.19 59.025 25.703 {ca val b 108}11.421 58.969 26.064 {ca asn b 109}11.659 55.854 23.885 {ca pro b 110}15.003 54.911 22.294 {ca asp b 111}13.092 52.507 20.071 {ca ile b 112}13.705 55.235 17.442 {ca leu b 113}17.476 55.855 17.722 {ca met b 114}17.539 52.17 16.906 {ca arg b 115}15.708 53.002 13.648 {ca leu b 116}18.034 55.81 12.451 {ca ser b 117}21.13 53.93 13.613 {ca ala b 118}20.271 50.821 11.538 {ca gln b 119}19.563 53.103 8.534 {ca met b 120}23.103 54.343 9.094 {ca ala b 121}24.57 50.80 8.987 {ca arg b 122}23.133 50.045 5.549 {ca arg b 123}24.397 53.446 4.494 {ca leu b 124}27.918 53.014 5.916 {ca gln b 125}27.801 49.43 4.439 {ca val b 126}26.812 50.333 0.882 {ca thr b 127}29.092 53.398 0.793 {ca ser b 128}31.768 51.01 1.919 {ca glu b 129}30.874 48.86 -1.144 {ca lys b 130}31.156 51.714 -3.676 {ca val b 131}34.786 52.57 -2.783 {ca gly b 132}34.994 48.927 -3.555 {ca asn b 133}34.573 49.743 -7.224 {ca leu b 134}36.394 53.104 -7.145 {ca ala b 135}39.701 51.287 -7.848 {ca phe b 136}38.528 50.05 -11.291 {ca leu b 137}40.008 53.518 -11.312 {ca asp b 138}38.939 54.322 -14.798 {ca val b 139}35.856 56.016 -16.201 {ca thr b 140}36.546 53.194 -18.621 {ca gly b 141}35.652 50.181 -16.499 {ca arg b 142}33.327 52.145 -14.210 {ca ile b 143}30.934 53.045 -17.019 {ca ala b 144}31.379 49.57 -18.352 {ca gln b 145}30.309 48.197 -14.926 {ca thr b 146}27.614 50.733 -14.174 {ca leu b 147}25.987 49.902 -17.563 {ca leu b 148}26.194 46.163 -16.793 {ca asn b 149}24.756 46.765 -13.293 {ca leu b 150}21.647 48.285 -14.770 {ca ala b 151}21.40 45.391 -17.194 {ca lys b 152}20.365 43.185 -14.269 {ca gln b 153}17.894 45.172 -12.153 {ca pro b 154}14.167 44.418 -12.609 {ca asp b 155}13.654 47.547 -14.657 {ca ala b 156}16.037 46.474 -17.422 {ca met b 157}14.231 46.091 -20.809 {ca thr b 158}14.969 42.971 -22.966 {ca his b 159}15.962 41.846 -26.437 {ca pro b 160}18.173 39.198 -28.176 {ca asp b 161}19.323 37.864 -24.762 {ca gly b 162}20.433 41.238 -23.587 {ca met b 163}18.839 44.304 -22.187 {ca gln b 164}17.616 47.795 -23.057 {ca ile b 165}18.349 50.305 -20.242 {ca lys b 166}17.25 53.939 -20.444 {ca ile b 167}19.671 56.561 -19.107 {ca thr b 168}21.039 59.736 -20.820 {ca asn b 194}P 31.11 44.915 -29.106 {ca leu b 195}30.091 46.146 -25.674 {ca ile b 196}26.911 48.146 -26.574 {ca ser b 197}24.904 49.958 -29.293 {ca ala b 198}22.993 53.115 -28.399 {ca his b 199}20.09 55.337 -29.332 {ca gly b 200}18.049 56.689 -26.406 {ca lys b 201}18.204 53.096 -25.228 {ca thr b 202}21.621 51.538 -24.479 {ca ile b 203}21.305 47.847 -25.341 {ca val b 204}23.929 45.371 -24.026 {ca val b 205}24.332 41.546 -24.069 @vectorlist {hth} color= sky master= {hlx-t-hlx} {ca thr b 168}P 21.039 59.736 -20.820 {ca arg b 169}24.677 60.659 -20.197 {ca gln b 170}23.366 62.315 -17.100 {ca glu b 171}22.886 59.063 -15.132 {ca ile b 172}25.879 57.147 -16.492 {ca gly b 173}27.947 60.13 -15.425 {ca gln b 174}26.242 61.414 -12.238 {ca ile b 175}26.761 57.855 -10.952 {ca val b 176}30.457 57.608 -12.008 {ca gly b 177}31.48 61.264 -11.497 @vectorlist {hth} color= white master= {hlx-t-hlx} {ca gly b 177}P 31.48 61.264 -11.497 {ca cys b 178}32.282 62.216 -15.042 {ca ser b 179}30.826 64.712 -17.490 @vectorlist {hth} color= red master= {hlx-t-hlx} {ca ser b 179}P 30.826 64.712 -17.490 {ca arg b 180}28.597 63.934 -20.457 {ca glu b 181}31.572 64.578 -22.702 {ca thr b 182}33.657 61.867 -21.097 {ca val b 183}30.60 59.718 -20.891 {ca gly b 184}30.055 59.972 -24.637 {ca arg b 185}33.532 58.985 -25.841 {ca ile b 186}33.506 55.809 -23.765 {ca leu b 187}29.929 55.161 -24.850 {ca lys b 188}31.101 55.119 -28.475 {ca met b 189}34.339 53.425 -27.545 {ca leu b 190}32.30 50.591 -26.009 {ca glu b 191}30.422 50.507 -29.361 {ca asp b 192}33.641 50.069 -31.337 {ca gln b 193}34.207 47.159 -28.948 {ca asn b 194}31.11 44.915 -29.106 @vectorlist {ht 1} color= purple master= {cAMP} {p cmp a 1}P 31.252 44.223 10.350 {o5* cmp a 1}32.65 43.701 10.225 {c5* cmp a 1}33.68 44.559 9.554 {c4* cmp a 1}33.729 45.759 10.547 {o4* cmp a 1}34.58 46.79 10.078 {c4* cmp a 1}P 33.729 45.759 10.547 {c3* cmp a 1}32.391 46.387 10.590 {p cmp a 1}P 31.252 44.223 10.350 {o3* cmp a 1}31.493 45.469 11.287 {c3* cmp a 1}P 32.391 46.387 10.590 {c2* cmp a 1}32.608 47.753 11.051 {o2* cmp a 1}32.795 47.849 12.437 {o4* cmp a 1}P 34.58 46.79 10.078 {c1* cmp a 1}33.969 48.04 10.305 {n9 cmp a 1}33.764 48.776 9.014 {c8 cmp a 1}33.11 48.264 7.847 {n7 cmp a 1}33.026 49.198 6.905 {c5 cmp a 1}P 33.583 50.305 7.502 {c6 cmp a 1}33.823 51.601 7.044 {n6 cmp a 1}33.515 52.098 5.840 {c6 cmp a 1}P 33.823 51.601 7.044 {n1 cmp a 1}34.525 52.424 7.909 {c2 cmp a 1}34.887 52.021 9.184 {n3 cmp a 1}34.637 50.841 9.644 {n9 cmp a 1}P 33.764 48.776 9.014 {c4 cmp a 1}34.029 50.063 8.771 {c3* cmp a 1}P 32.391 46.387 10.590 {o3* cmp a 1}31.493 45.469 11.287 {c2* cmp a 1}P 32.608 47.753 11.051 {c1* cmp a 1}33.969 48.04 10.305 {n7 cmp a 1}P 33.026 49.198 6.905 {c5 cmp a 1}33.583 50.305 7.502 {c4 cmp a 1}34.029 50.063 8.771 {n3 cmp a 1}34.637 50.841 9.644 @vectorlist {ht 2} color= purple master= {cAMP} {o1p cmp b 1}P 25.49 65.099 6.739 {p cmp b 1}24.056 65.482 6.800 {o2p cmp b 1}23.761 66.378 7.910 {p cmp b 1}P 24.056 65.482 6.8 {o5* cmp b 1}23.739 66.255 5.473 {c5* cmp b 1}23.871 65.643 4.154 {c4* cmp b 1}23.038 64.40 4.276 {o4* cmp b 1}23.207 63.509 3.182 {p cmp b 1}P 24.056 65.482 6.8 {o3* cmp b 1}23.031 64.291 6.706 {c4* cmp b 1}P 23.038 64.40 4.276 {c3* cmp b 1}23.365 63.579 5.468 {c2* cmp b 1}22.775 62.273 5.200 {o2* cmp b 1}21.382 62.28 5.441 {o4* cmp b 1}P 23.207 63.509 3.182 {c1* cmp b 1}22.995 62.185 3.657 {n9 cmp b 1}24.196 61.356 3.330 {c8 cmp b 1}25.533 61.753 3.567 {n7 cmp b 1}26.384 60.806 3.243 {c5 cmp b 1}P 25.591 59.763 2.789 {c6 cmp b 1}25.936 58.498 2.292 {n6 cmp b 1}27.164 57.966 2.122 {c6 cmp b 1}P 25.936 58.498 2.292 {n1 cmp b 1}24.857 57.746 1.908 {c2 cmp b 1}23.56 58.234 2.036 {n3 cmp b 1}23.223 59.384 2.507 {n9 cmp b 1}P 24.196 61.356 3.33 {c4 cmp b 1}24.271 60.087 2.849 {c3* cmp b 1}P 23.365 63.579 5.468 {o3* cmp b 1}23.031 64.291 6.706 {c2* cmp b 1}P 22.775 62.273 5.2 {c1* cmp b 1}22.995 62.185 3.657 {n7 cmp b 1}P 26.384 60.806 3.243 {c5 cmp b 1}25.591 59.763 2.789 {c4 cmp b 1}24.271 60.087 2.849 {n3 cmp b 1}23.223 59.384 2.507 @group off dominant {labels} @labellist {lbl d1} color=white <1>{ Nt} 22.802 66.935 62.366 <12>{ A} 33.338 57.965 67.849 <105>{ B} 32.3 45.646 69.72 <124>{ C} 28.675 45.315 45.022 @labellist {lbl d2} color=yellowtint <145>{ D} 32.05 56.768 32.335 <171>{ E} 45.498 56.166 35.937 <188>{ F} 41.464 63.646 21.734 <208>{ Ct} 23.692 67.985 33.392