@text Kinemage Supplement to Branden & Tooze "Introduction to Protein Structure", Second Edition Chapter 11 - AN EXAMPLE OF ENZYME CATALYSIS: SERINE PROTEINASES Contents of file c11SerPr.kin: *{Kin 1}* Chymotrypsin - 2 domains, 3 chains, and catalytic triad (Fig. 11.7) *{Kin 2}* Trypsin/BPTI - overview & nonspecific binding (Fig. 11.9) *{Kin 3}* Trypsin/BPTI - catalytic features & contact dots (Fig. 11.9, 11.12) *{Kin 4}* Chymotrypsin, trypsin, & subtilisin superimposed (Fig. 11.7,11.13) *{Kin 5}* Subtilisin - alpha/beta structure, in ribbons (Fig. 11.13) *{Kin 6}* Subtilisin active site & eglin inhibitor - 4 essential features (Fig. 11.14) *{Kinemage 1}* is a ribbon schematic of the serine proteinase chymotrypsin, with the catalytic triad of active-site side chains (Ser195, His57, and Asp102) in green, at the domain interface. View1 is similar to Fig. 11.7, with domain 1 on the bottom and domain 2 on the top (each domain can be turned on or off separately). The two domains are similar, each consisting mainly of a 6-stranded Greek key beta barrel whose strands are highlighted in pink. View1 looks down the approximate twofold axis between the domains, while Views2 and 3 look down the axis of each barrel in turn. On activation from chymotrypsinogen, the molecule is cleaved in two places to produce 3 chains; chain A is seagreen, chain B is colored or edged in bluetint, and chain C is colored or edged in yellowtint. The segment lost between chains B and C (shown dotted) does not affect activity, but the clip at residue 16 is a critical change, producing a new N-terminus (marked with a skyblue cross) which dives into the end of the domain 2 beta barrel, interacts with Asp 194, and alters the conformation of a critical loop next to the active site. View4 looks at chymotrypsin from the side that has chain A; the 2 disulfides that join the 3 chains can be seen in gold (there are other disulfides, not shown, inside one chain). Residues 8-13 of chain A are disordered, and are not shown. *{Kinemage 2}* and 3 use the structure of trypsin complexed with basic pancreatic trypsin inhibitor (BPTI, in yellowtint) to illustrate the features of the chymotrypsin-like serine proteinases. In kinemage 2, the starting frame of an animated tour shows an overview of the trypsin-BPTI complex. Inhibitor Calphas are in yellowtint, specificity-residue Lys 15 in yellow, an SS bridge that helps stabilize the inhibitory loop in gold, and the bond to be cleaved (called the "scissile bond") in seagreen. Animate, to continue the tour with a close-up of non-specific H-bonding to the inhibitor main chain (including 2 beta-sheet H-bonds, and one to the Ne of Gln 192). One of the beta H-bonds is a bit long, and becomes shorter in the tetrahedral transition state. Next is a closeup of the catalytic triad of side chains (Ser 195, His 57, and Asp 102) backed up by a bond to Ser 214, with the Ser in position under the scissile peptide bond of the inhibitor. Last is a summary view of the active site, with the 4 essential features of serine proteinase catalysis labeled. (We will see the specificity pocket and the oxyanion hole in more detail in Kin. 3). *{Kinemage 3}* shows further detail of the trypsin-BPTI active site, using patches of dots to show where atoms contact between enzyme and inhibitor (color-coded by atom type). View1 shows Lys 15 of BPTI (yellow) in the trypsin specificity pocket. The side of the Lys side-chain contacts backbone along the left side of the pocket, and the NH3+ makes H-bonds to Ser 190 Ogamma and CO, and to Asp 189 (the primary specificity-residue) through a water molecule (green ball). View2 shows the oxyanion hole that surrounds the CO of the inhibitor scissile bond, and that is set up to do an even better job of binding the tetrahedral oxyanion that forms in the transition state of the reaction. Both blue contact dots and purple H-bonds show the interactions of the O with the main chain NH groups of residues 193 and 195. View3 symbolizes with a red arrow the attack of Ser 195 Ogamma on the underside of the scissile peptide. *{Kinemage 4}* is a superposition of chymotrypsin (greentint), trypsin (white), and subtilisin (pinktint). Animate to switch among them, or turn them on all together or in pairs. View1 is an overview that shows how similar the Calpha backbones are for trypsin and chymotrypsin and how completely unrelated the fold of subtilisin is to the other two. Choose View2 and animate again, to see a close-up comparison of the active-site residues, which are quite closely superimposable for all three enzymes; note that the extended piece of backbone (vertical, above His57, in View2) which H-bonds with the extended backbone of an inhibitor or substrate, is also superimposable for all three. View3 looks along the twisted beta sheet of subtilisin. This contrast of the bacterial vs. the pancreatic serine proteinases is a classic example of convergent evolution on the molecular level. *{Kinemage 5}* is a ribbon schematic of subtilisin, arranged and colored as in Fig. 11.13. The active site is at the C-terminal end of the beta strands in the primary alpha/beta structure shown in blue, in analogy to the active-site location discussed for nucleotide-binding domains in Chapter 4. (The subtilisin beta sheet and its crossover connections continue into the yellow region, but there are no helices in those connecing loops.) Side chains are shown for the catalytic triad and for an Asn which provides one of the H-bonds in the oxyanion hole of subtilisin. Part of the inhibitor eglin is shown in red to indicate the position of substrate; the loop regions colored orange are involved in non-specific backbone H-bonding to substrate. An unusual feature of the subtilisin alpha/beta region is that it has one lefthanded beta-alpha-beta connection (turn on "LH b-a-b" to highlight it in pink), seen well in either View1 or View2; View3 shows that the lefthanded connection lies on the back side of the sheet, as in the topology diagram of Fig. 11.15. One of the catalytic residues (His 64) is on the helix in that connection; given the beta-strand order in subtilisin, His 64 could not be placed near its needed position without the unusual handedness of that beta-alpha-beta connection. *{Kinemage 6}* is an animated tour of the complex of subtilisin with its inhibitor eglin, featuring the binding and the catalytic site. Subtilisin is in white and eglin in pinktint,with the scissile bond emphasized in hotpink. Animation steps 1 and 2 show Calphas of the entire complex, first from the edge of the subtilisin beta sheet and then from one face of the sheet, with the binding loop of the inhibitor thrust down into the cleft at the top middle of the sheet. Animation steps 3-6 are close-ups of the four features essential to catalytic activity. 1) Non-specific binding to the substrate or inhibitor backbone is provided by 4 beta-sheet H-bonds to extended strands of subtilisin on either side. 2) The specificity pocket of subtilisin (here occupied by Leu 45 of eglin) is a relatively nonspecific one, surrounded mostly by main chain exposed by several glycines. 3) The catalytic triad of subtilisin is Ser 221, His 64, and Asp 32, with the Ser poised to attack the scissile bond; the nature and geometry of the triad is the same as in chymotrypsin, but the 3 residues come in a different sequence order and from different types of secondary structure. 4) The oxyanion hole is a set of N atoms (2 main chain & one from Asn 155, marked in blue) which surround the CO of the scissile bond (marked in red). Those N atoms H-bond to a substrate or inhibitor, as here, but the H-bond geometry as well as the charge interactions are significantly better for the oxyanion of the tetrahedral transition state, especially for the central H-bond shown dashed. Thus the oxyanion interactions not only bind substrate but improve catalysis by binding more tightly to the transition state. The final animation step shows the entire active site (similar to Fig. 11.14), with the four catalytic features of the serine proteinase activity labeled. 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. 11.7) Structure of chymotrypsin, showing the 3 chains after activation cleavage (A in greentint, B in bluetint, and C in yellowtint), and the organization into two domains, each with a 6-strand beta barrel (emphasized in pink). The two disulfides that bridge chains A, B, and C are shown in gold. The new N-terminus at Ile 16 is marked with a skyblue cross, and the cleaved-away connection between chains B and C is dotted. The catalytic triad of Ser-His-Asp side chains (green) comes from both domains. (from PDB file 5CHA) @onewidth @viewid {two-fold} @zoom 1.0 @zslab 160 @center 30.705 19.742 18.024 @matrix -.835415 -.497018 -.234638 .527273 -.84524 -.086911 -.155129 -.196325 .96819 @2viewid {barrel 1} @2zoom 1.19 @2zslab 170 @2center 36.457 20.637 17.308 @2matrix -.606302 -.693439 -.389282 .317423 -.659862 .681047 -.729137 .289353 .620188 @3viewid {barrel 2} @3zoom 1.19 @3zslab 190 @3center 29.510 16.411 18.582 @3matrix -.613351 -.686585 .390386 .589134 -.726923 -.352851 .526043 .013568 .85035 @4viewid {chains} @4zoom 1.19 @4zslab 150 @4center 34.544 14.949 15.972 @4matrix 0.0819 -.87315 .48053 .09802 -.47275 -.87573 .99181 .11882 .04687 @group {chym'trypsin} @subgroup dominant {chain A} master= {domain 1} @vectorlist {ribbon} color= greentint {R1 cys 1}P 40.345 14.599 2.14 {R1 cys 1} width4 40.23 14.565 2.259 {R1 cys 1} width4 39.952 14.439 2.564 {R1 cys 1} width4 39.616 14.187 2.972 {R1 gly a 2}P 39.616 14.187 2.972 {R1 gly 2} width4 39.325 13.776 3.404 {R1 gly 2} width4 39.163 13.188 3.794 {R1 gly 2} width4 39.135 12.475 4.146 {R1 gly 2} width4 39.228 11.707 4.478 {R1 val a 3}P 39.228 11.707 4.478 {R1 val 3} width4 39.427 10.954 4.81 {R1 val 3} width4 39.721 10.271 5.156 {R1 val 3} width4 40.096 9.665 5.513 {R1 val 3} width4 40.542 9.125 5.874 {R1 pro a 4}P 40.542 9.125 5.874 {R1 pro 4} width4 41.048 8.644 6.233 {R1 pro 4} width4 41.601 8.21 6.583 {R1 pro 4} width4 42.192 7.803 6.926 {R1 pro 4} width4 42.81 7.402 7.266 {R1 ala a 5}P 42.81 7.402 7.266 {R1 ala 5} width4 43.445 6.985 7.606 {R1 ala 5} width4 44.071 6.537 7.947 {R1 ala 5} width4 44.602 6.068 8.285 {R1 ala 5} width4 44.937 5.596 8.612 {R1 ile a 6}P 44.937 5.596 8.612 {R1 ile 6} width4 44.975 5.141 8.923 {R1 ile 6} width4 44.65 4.717 9.212 {R1 ile 6} width4 44.036 4.336 9.482 {R1 ile 6} width4 43.243 4.005 9.735 {R1 gln a 7}P 43.243 4.005 9.735 {R1 gln 7} width4 42.381 3.733 9.975 {R1 gln 7} width4 41.531 3.535 10.223 {R1 gln 7} width4 40.669 3.452 10.57 {R1 gln 7} width4 39.711 3.423 11.114 {R1 pro a 8} width4 38.249 3.588 12.099 {R1 pro 8} width4 37.653 3.845 12.729 @subgroup {chain B} dominant @vectorlist {activ.} color=sky master= {domain 1} {ca ile a 16}P U 28.386 10.178 24.848 U 29.386 10.178 24.848 P U 28.886 9.678 24.848 U 28.886 10.678 24.848 P U 28.886 10.178 24.348 U 28.886 10.178 25.348 @ribbonlist {barrel 1} color= pink master= {domain 1} {R1 trp a 29}P 41.957 13.669 12.939 {R2 trp a 29} 40.975 12.601 12.155 {R1 trp 29}P 42.008 14.309 12.835 {R2 trp 29} 40.901 13.149 12.281 {R1 trp 29}P 41.756 14.867 12.979 {R2 trp 29} 40.72 13.561 12.602 {R1 trp 29}P 41.286 15.35 13.338 {R2 trp 29} 40.494 13.874 13.091 {R1 trp 29}P 40.715 15.768 13.851 {R2 trp 29} 40.292 14.141 13.70 {R1 gln a 30}P 40.715 15.768 13.851 {R2 gln a 30} 40.292 14.141 13.70 {R1 gln 30}P 40.164 16.129 14.459 {R2 gln 30} 40.186 14.416 14.381 {R1 gln 30}P 39.731 16.444 15.109 {R2 gln 30} 40.227 14.742 15.095 {R1 gln 30}P 39.422 16.726 15.785 {R2 gln 30} 40.385 15.128 15.827 {R1 gln 30}P 39.224 16.986 16.482 {R2 gln 30} 40.614 15.575 16.57 {R1 val a 31}P 39.224 16.986 16.482 {R2 val a 31} 40.614 15.575 16.57 {R1 val 31}P 39.121 17.236 17.193 {R2 val 31} 40.862 16.082 17.317 {R1 val 31}P 39.096 17.49 17.91 {R2 val 31} 41.089 16.645 18.06 {R1 val 31}P 39.124 17.767 18.631 {R2 val 31} 41.276 17.249 18.781 {R1 val 31}P 39.173 18.087 19.352 {R2 val 31} 41.411 17.873 19.465 {R1 ser a 32}P 39.173 18.087 19.352 {R2 ser a 32} 41.411 17.873 19.465 {R1 ser 32}P 39.217 18.468 20.07 {R2 ser 32} 41.483 18.499 20.094 {R1 ser 32}P 39.234 18.922 20.782 {R2 ser 32} 41.487 19.112 20.656 {R1 ser 32}P 39.242 19.43 21.481 {R2 ser 32} 41.453 19.717 21.166 {R1 ser 32}P 39.267 19.964 22.161 {R2 ser 32} 41.414 20.322 21.645 {R1 leu a 33}P 39.267 19.964 22.161 {R2 leu a 33} 41.414 20.322 21.645 {R1 leu 33}P 39.335 20.496 22.817 {R2 leu 33} 41.406 20.938 22.112 {R1 leu 33}P 39.467 21.004 23.445 {R2 leu 33} 41.456 21.569 22.586 {R1 leu 33}P 39.652 21.492 24.061 {R2 leu 33} 41.553 22.206 23.075 {R1 leu 33}P 39.874 21.967 24.681 {R2 leu 33} 41.675 22.834 23.582 {R1 gln a 34}P 39.874 21.967 24.681 {R2 gln a 34} 41.675 22.834 23.582 {R1 gln 34}P 40.117 22.439 25.323 {R2 gln 34} 41.802 23.438 24.113 {R1 gln 34}P 40.37 22.916 25.995 {R2 gln 34} 41.918 24.009 24.672 {R1 gln 34}P 40.648 23.401 26.663 {R2 gln 34} 42.019 24.561 25.262 {R1 gln 34}P 40.971 23.899 27.285 {R2 gln 34} 42.107 25.111 25.881 {R1 asp a 35}P 40.971 23.899 27.285 {R2 asp a 35} 42.107 25.111 25.881 {R1 asp 35}P 41.359 24.412 27.816 {R2 asp 35} 42.181 25.68 26.532 {R1 asp 35}P 41.824 24.939 28.235 {R2 asp 35} 42.247 26.273 27.215 {R1 asp 35}P 42.351 25.466 28.595 {R2 asp 35} 42.325 26.859 27.93 {R1 asp 35}P 42.916 25.973 28.974 {R2 asp 35} 42.439 27.391 28.675 @ribbonlist {barrel 1} color= pink master= {domain 1} {R1 gly a 38}P 45.337 25.497 32.305 {R2 gly a 38} 43.591 26.155 31.851 {R1 gly 38}P 45.135 24.721 32.116 {R2 gly 38} 43.443 25.473 31.573 {R1 gly 38}P 44.872 23.942 31.819 {R2 gly 38} 43.248 24.864 31.292 {R1 gly 38}P 44.542 23.189 31.45 {R2 gly 38} 43.00 24.326 31.014 {R1 gly 38}P 44.131 22.476 31.045 {R2 gly 38} 42.688 23.841 30.729 {R1 phe a 39}P 44.131 22.476 31.045 {R2 phe a 39} 42.688 23.841 30.729 {R1 phe 39}P 43.626 21.821 30.64 {R2 phe 39} 42.302 23.388 30.426 {R1 phe 39}P 43.019 21.242 30.266 {R2 phe 39} 41.837 22.958 30.095 {R1 phe 39}P 42.324 20.766 29.927 {R2 phe 39} 41.312 22.561 29.732 {R1 phe 39}P 41.56 20.421 29.626 {R2 phe 39} 40.755 22.219 29.328 {R1 his a 40}P 41.56 20.421 29.626 {R2 his a 40} 40.755 22.219 29.328 {R1 his 40}P 40.748 20.236 29.362 {R2 his 40} 40.188 21.95 28.879 {R1 his 40}P 39.906 20.229 29.13 {R2 his 40} 39.636 21.769 28.384 {R1 his 40}P 39.056 20.364 28.895 {R2 his 40} 39.104 21.659 27.867 {R1 his 40}P 38.219 20.597 28.615 {R2 his 40} 38.599 21.602 27.355 {R1 phe a 41}P 38.219 20.597 28.615 {R2 phe a 41} 38.599 21.602 27.355 {R1 phe 41}P 37.416 20.881 28.249 {R2 phe 41} 38.125 21.576 26.879 {R1 phe 41}P 36.67 21.17 27.765 {R2 phe 41} 37.687 21.56 26.457 {R1 phe 41}P 36.002 21.417 27.167 {R2 phe 41} 37.302 21.531 26.061 {R1 phe 41}P 35.437 21.576 26.467 {R2 phe 41} 36.988 21.467 25.654 {R1 cys a 42}P 35.437 21.576 26.467 {R2 cys a 42} 36.988 21.467 25.654 {R1 cys 42}P 34.996 21.599 25.679 {R2 cys 42} 36.761 21.342 25.199 {R1 cys 42}P 34.697 21.461 24.82 {R2 cys 42} 36.633 21.142 24.664 {R1 cys 42}P 34.533 21.223 23.926 {R2 cys 42} 36.585 20.88 24.044 {R1 cys 42}P 34.491 20.967 23.035 {R2 cys 42} 36.593 20.574 23.338 {R1 gly a 43}P 34.491 20.967 23.035 {R2 gly a 43} 36.593 20.574 23.338 {R1 gly 43}P 34.559 20.774 22.188 {R2 gly 43} 36.631 20.247 22.547 {R1 gly 43}P 34.722 20.706 21.41 {R2 gly 43} 36.679 19.917 21.68 {R1 gly 43}P 34.955 20.738 20.666 {R2 gly 43} 36.733 19.606 20.77 {R1 gly 43}P 35.23 20.823 19.91 {R2 gly 43} 36.798 19.334 19.86 {R1 gly a 44}P 35.23 20.823 19.91 {R2 gly a 44} 36.798 19.334 19.86 {R1 gly 44}P 35.522 20.914 19.093 {R2 gly 44} 36.874 19.124 18.993 {R1 gly 44}P 35.811 20.974 18.185 {R2 gly 44} 36.967 18.988 18.198 {R1 gly 44}P 36.104 20.999 17.223 {R2 gly 44} 37.095 18.908 17.458 {R1 gly 44}P 36.418 20.991 16.264 {R2 gly 44} 37.279 18.861 16.742 {R1 ser a 45}P 36.418 20.991 16.264 {R2 ser a 45} 37.279 18.861 16.742 {R1 ser 45}P 36.768 20.955 15.361 {R2 ser 45} 37.541 18.82 16.021 {R1 ser 45}P 37.165 20.897 14.556 {R2 ser 45} 37.888 18.768 15.27 {R1 ser 45}P 37.597 20.839 13.835 {R2 ser 45} 38.282 18.723 14.492 {R1 ser 45}P 38.045 20.804 13.169 {R2 ser 45} 38.669 18.708 13.695 {R1 leu a 46}P 38.045 20.804 13.169 {R2 leu a 46} 38.669 18.708 13.695 {R1 leu 46}P 38.491 20.817 12.532 {R2 leu 46} 38.997 18.747 12.887 {R1 leu 46}P 38.921 20.893 11.901 {R2 leu 46} 39.231 18.86 12.075 {R1 leu 46}P 39.329 21.018 11.285 {R2 leu 46} 39.399 19.044 11.264 {R1 leu 46}P 39.711 21.168 10.701 {R2 leu 46} 39.546 19.291 10.46 {R1 ile a 47}P 39.711 21.168 10.701 {R2 ile a 47} 39.546 19.291 10.46 {R1 ile 47}P 40.064 21.318 10.165 {R2 ile 47} 39.717 19.592 9.667 {R1 ile 47}P 40.392 21.449 9.692 {R2 ile 47} 39.955 19.937 8.898 {R1 ile 47}P 40.726 21.559 9.293 {R2 ile 47} 40.287 20.306 8.19 {R1 ile 47}P 41.102 21.65 8.977 {R2 ile 47} 40.738 20.679 7.589 {R1 asn a 48}P 41.102 21.65 8.977 {R2 asn a 48} 40.738 20.679 7.589 {R1 asn 48}P 41.56 21.724 8.756 {R2 asn 48} 41.333 21.031 7.141 {R1 asn 48}P 42.126 21.788 8.635 {R2 asn 48} 42.078 21.35 6.878 {R1 asn 48}P 42.796 21.87 8.604 {R2 asn 48} 42.912 21.65 6.785 {R1 asn 48}P 43.553 22.004 8.65 {R2 asn 48} 43.756 21.953 6.835 @ribbonlist {barrel 1} color= pink master= {domain 1} {R1 trp a 51}P 44.884 25.68 10.314 {R2 trp a 51} 44.251 24.453 9.253 {R1 trp 51}P 43.908 26.03 10.629 {R2 trp 51} 43.518 24.491 9.599 {R1 trp 51}P 42.976 26.20 10.999 {R2 trp 51} 42.796 24.417 9.97 {R1 trp 51}P 42.103 26.219 11.399 {R2 trp 51} 42.084 24.255 10.364 {R1 trp 51}P 41.276 26.134 11.797 {R2 trp 51} 41.37 24.041 10.775 {R1 val a 52}P 41.276 26.134 11.797 {R2 val a 52} 41.37 24.041 10.775 {R1 val 52}P 40.486 25.991 12.159 {R2 val 52} 40.636 23.809 11.196 {R1 val 52}P 39.721 25.833 12.463 {R2 val 52} 39.875 23.588 11.623 {R1 val 52}P 38.968 25.678 12.725 {R2 val 52} 39.103 23.394 12.059 {R1 val 52}P 38.217 25.538 12.973 {R2 val 52} 38.346 23.235 12.508 {R1 val a 53}P 38.217 25.538 12.973 {R2 val a 53} 38.346 23.235 12.508 {R1 val 53}P 37.455 25.427 13.23 {R2 val 53} 37.627 23.123 12.973 {R1 val 53}P 36.677 25.353 13.52 {R2 val 53} 36.963 23.066 13.461 {R1 val 53}P 35.898 25.312 13.845 {R2 val 53} 36.339 23.068 13.981 {R1 val 53}P 35.14 25.293 14.203 {R2 val 53} 35.731 23.131 14.543 {R1 thr a 54}P 35.14 25.293 14.203 {R2 thr a 54} 35.731 23.131 14.543 {R1 thr 54}P 34.424 25.286 14.591 {R2 thr 54} 35.118 23.257 15.159 {R1 thr 54}P 33.765 25.289 15.006 {R2 thr 54} 34.484 23.452 15.828 {R1 thr 54}P 33.15 25.324 15.436 {R2 thr 54} 33.853 23.724 16.51 {R1 thr 54}P 32.561 25.421 15.867 {R2 thr 54} 33.253 24.086 17.152 {R1 ala a 55}P 32.561 25.421 15.867 {R2 ala a 55} 33.253 24.086 17.152 {R1 ala 55}P 31.978 25.608 16.285 {R2 ala 55} 32.715 24.549 17.702 {R1 ala 55}P 31.389 25.907 16.681 {R2 ala 55} 32.26 25.12 18.125 {R1 ala 55}P 30.804 26.296 17.068 {R2 ala 55} 31.865 25.78 18.456 {R1 ala 55}P 30.24 26.747 17.465 {R2 ala 55} 31.497 26.503 18.747 @ribbonlist {barrel 1} color= pink master= {domain 1} {R1 ser a 63}P 42.819 33.673 23.138 {R2 ser a 63} 44.071 32.707 22.62 {R1 ser 63}P 43.149 33.35 23.394 {R2 ser 63} 44.593 32.572 22.939 {R1 ser 63}P 43.248 32.86 23.605 {R2 ser 63} 44.789 32.165 23.365 {R1 ser 63}P 43.197 32.244 23.753 {R2 ser 63} 44.72 31.535 23.832 {R1 ser 63}P 43.101 31.55 23.822 {R2 ser 63} 44.486 30.758 24.256 {R1 asp a 64}P 43.101 31.55 23.822 {R2 asp a 64} 44.486 30.758 24.256 {R1 asp 64}P 43.068 30.828 23.798 {R2 asp 64} 44.186 29.91 24.556 {R1 asp 64}P 43.178 30.12 23.668 {R2 asp 64} 43.904 29.056 24.666 {R1 asp 64}P 43.411 29.422 23.443 {R2 asp 64} 43.665 28.224 24.601 {R1 asp 64}P 43.715 28.725 23.135 {R2 asp 64} 43.48 27.43 24.392 {R1 val a 65}P 43.715 28.725 23.135 {R2 val a 65} 43.48 27.43 24.392 {R1 val 65}P 44.042 28.018 22.76 {R2 val 65} 43.362 26.693 24.071 {R1 val 65}P 44.351 27.29 22.334 {R2 val 65} 43.314 26.02 23.668 {R1 val 65}P 44.631 26.546 21.891 {R2 val 65} 43.32 25.389 23.216 {R1 val 65}P 44.877 25.788 21.468 {R2 val 65} 43.356 24.77 22.744 {R1 val a 66}P 44.877 25.788 21.468 {R2 val a 66} 43.356 24.77 22.744 {R1 val 66}P 45.085 25.021 21.104 {R2 val 66} 43.396 24.131 22.284 {R1 val 66}P 45.256 24.251 20.824 {R2 val 66} 43.425 23.449 21.86 {R1 val 66}P 45.405 23.481 20.606 {R2 val 66} 43.454 22.728 21.472 {R1 val 66}P 45.55 22.716 20.42 {R2 val 66} 43.50 21.98 21.112 {R1 val a 67}P 45.55 22.716 20.42 {R2 val a 67} 43.50 21.98 21.112 {R1 val 67}P 45.711 21.962 20.231 {R2 val 67} 43.582 21.218 20.774 {R1 val 67}P 45.902 21.22 20.014 {R2 val 67} 43.713 20.451 20.448 {R1 val 67}P 46.113 20.483 19.771 {R2 val 67} 43.889 19.686 20.118 {R1 val 67}P 46.332 19.742 19.509 {R2 val 67} 44.102 18.927 19.761 {R1 ala a 68}P 46.332 19.742 19.509 {R2 ala a 68} 44.102 18.927 19.761 {R1 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81}P 49.958 15.92 19.732 {R2 gln a 81} 51.919 16.55 20.205 {R1 gln 81}P 49.606 16.805 19.626 {R2 gln 81} 51.735 17.254 19.988 {R1 gln 81}P 49.328 17.659 19.575 {R2 gln 81} 51.546 18.012 19.909 {R1 gln 81}P 49.108 18.477 19.561 {R2 gln 81} 51.349 18.809 19.929 {R1 gln 81}P 48.92 19.257 19.569 {R2 gln 81} 51.139 19.63 19.996 {R1 lys a 82}P 48.92 19.257 19.569 {R2 lys a 82} 51.139 19.63 19.996 {R1 lys 82}P 48.736 19.997 19.581 {R2 lys 82} 50.911 20.457 20.059 {R1 lys 82}P 48.534 20.703 19.583 {R2 lys 82} 50.665 21.276 20.074 {R1 lys 82}P 48.32 21.393 19.573 {R2 lys 82} 50.412 22.083 20.027 {R1 lys 82}P 48.101 22.094 19.552 {R2 lys 82} 50.163 22.875 19.913 {R1 leu a 83}P 48.101 22.094 19.552 {R2 leu a 83} 50.163 22.875 19.913 {R1 leu 83}P 47.886 22.829 19.518 {R2 leu 83} 49.931 23.65 19.727 {R1 leu 83}P 47.683 23.618 19.475 {R2 leu 83} 49.723 24.403 19.471 {R1 leu 83}P 47.489 24.45 19.431 {R2 leu 83} 49.507 25.129 19.167 {R1 leu 83}P 47.299 25.307 19.397 {R2 leu 83} 49.245 25.822 18.845 {R1 lys a 84}P 47.299 25.307 19.397 {R2 lys a 84} 49.245 25.822 18.845 {R1 lys 84}P 47.107 26.172 19.385 {R2 lys 84} 48.901 26.474 18.534 {R1 lys 84}P 46.91 27.029 19.395 {R2 lys 84} 48.448 27.084 18.256 {R1 lys 84}P 46.712 27.866 19.397 {R2 lys 84} 47.918 27.664 17.998 {R1 lys 84}P 46.518 28.675 19.351 {R2 lys 84} 47.356 28.23 17.738 {R1 ile a 85}P 46.518 28.675 19.351 {R2 ile a 85} 47.356 28.23 17.738 {R1 ile 85}P 46.332 29.445 19.217 {R2 ile 85} 46.806 28.80 17.455 {R1 ile 85}P 46.156 30.169 18.967 {R2 ile 85} 46.303 29.383 17.135 {R1 ile 85}P 45.975 30.855 18.621 {R2 ile 85} 45.848 29.969 16.793 {R1 ile 85}P 45.77 31.515 18.211 {R2 ile 85} 45.433 30.541 16.453 {R1 ala a 86}P 45.77 31.515 18.211 {R2 ala a 86} 45.433 30.541 16.453 {R1 ala 86}P 45.522 32.159 17.771 {R2 ala 86} 45.05 31.082 16.137 {R1 ala 86}P 45.211 32.792 17.331 {R2 ala 86} 44.685 31.574 15.864 {R1 ala 86}P 44.816 33.383 16.924 {R2 ala 86} 44.309 32.002 15.637 {R1 ala 86}P 44.315 33.896 16.582 {R2 ala 86} 43.886 32.345 15.455 {R1 lys a 87}P 44.315 33.896 16.582 {R2 lys a 87} 43.886 32.345 15.455 {R1 lys 87}P 43.686 34.294 16.338 {R2 lys 87} 43.38 32.588 15.315 {R1 lys 87}P 42.921 34.551 16.208 {R2 lys 87} 42.768 32.719 15.215 {R1 lys 87}P 42.06 34.689 16.147 {R2 lys 87} 42.062 32.758 15.141 {R1 lys 87}P 41.161 34.741 16.098 {R2 lys 87} 41.287 32.732 15.078 {R1 val a 88}P 41.161 34.741 16.098 {R2 val a 88} 41.287 32.732 15.078 {R1 val 88}P 40.279 34.74 16.00 {R2 val 88} 40.467 32.667 15.012 {R1 val 88}P 39.456 34.715 15.811 {R2 val 88} 39.624 32.589 14.93 {R1 val 88}P 38.684 34.679 15.563 {R2 val 88} 38.77 32.513 14.828 {R1 val 88}P 37.941 34.639 15.304 {R2 val 88} 37.918 32.452 14.704 {R1 phe a 89}P 37.941 34.639 15.304 {R2 phe a 89} 37.918 32.452 14.704 {R1 phe 89}P 37.208 34.604 15.082 {R2 phe 89} 37.077 32.418 14.559 {R1 phe 89}P 36.466 34.579 14.931 {R2 phe 89} 36.257 32.419 14.394 {R1 phe 89}P 35.717 34.558 14.826 {R2 phe 89} 35.452 32.446 14.233 {R1 phe 89}P 34.964 34.533 14.725 {R2 phe 89} 34.653 32.483 14.102 {R1 lys a 90}P 34.964 34.533 14.725 {R2 lys a 90} 34.653 32.483 14.102 {R1 lys 90}P 34.212 34.496 14.588 {R2 lys 90} 33.854 32.515 14.028 {R1 lys 90}P 33.467 34.446 14.383 {R2 lys 90} 33.049 32.536 14.026 {R1 lys 90}P 32.737 34.402 14.116 {R2 lys 90} 32.252 32.579 14.069 {R1 lys 90}P 32.034 34.393 13.801 {R2 lys 90} 31.478 32.685 14.116 @ribbonlist {barrel 1} color= pink master= {domain 1} {R1 ile a 103}P 27.353 28.699 14.979 {R2 ile a 103} 27.218 26.87 15.383 {R1 ile 103}P 27.957 28.691 14.957 {R2 ile 103} 28.135 26.765 15.384 {R1 ile 103}P 28.617 28.777 14.905 {R2 ile 103} 29.062 26.757 15.293 {R1 ile 103}P 29.335 28.939 14.82 {R2 ile 103} 29.981 26.828 15.131 {R1 ile 103}P 30.108 29.146 14.701 {R2 ile 103} 30.874 26.954 14.929 {R1 thr a 104}P 30.108 29.146 14.701 {R2 thr a 104} 30.874 26.954 14.929 {R1 thr 104}P 30.932 29.369 14.547 {R2 thr 104} 31.726 27.111 14.716 {R1 thr 104}P 31.80 29.582 14.36 {R2 thr 104} 32.523 27.276 14.516 {R1 thr 104}P 32.695 29.77 14.167 {R2 thr 104} 33.285 27.435 14.327 {R1 thr 104}P 33.596 29.92 13.996 {R2 thr 104} 34.034 27.574 14.144 {R1 leu a 105}P 33.596 29.92 13.996 {R2 leu a 105} 34.034 27.574 14.144 {R1 leu 105}P 34.483 30.02 13.876 {R2 leu 105} 34.796 27.681 13.96 {R1 leu 105}P 35.341 30.065 13.829 {R2 leu 105} 35.587 27.748 13.771 {R1 leu 105}P 36.173 30.074 13.836 {R2 leu 105} 36.402 27.792 13.584 {R1 leu 105}P 36.99 30.072 13.869 {R2 leu 105} 37.226 27.832 13.41 {R1 leu a 106}P 36.99 30.072 13.869 {R2 leu a 106} 37.226 27.832 13.41 {R1 leu 106}P 37.803 30.085 13.901 {R2 leu 106} 38.048 27.89 13.258 {R1 leu 106}P 38.619 30.13 13.911 {R2 leu 106} 38.856 27.979 13.135 {R1 leu 106}P 39.438 30.191 13.901 {R2 leu 106} 39.65 28.089 13.031 {R1 leu 106}P 40.257 30.243 13.88 {R2 leu 106} 40.431 28.202 12.931 {R1 lys a 107}P 40.257 30.243 13.88 {R2 lys a 107} 40.431 28.202 12.931 {R1 lys 107}P 41.073 30.261 13.855 {R2 lys 107} 41.20 28.298 12.822 {R1 lys 107}P 41.884 30.228 13.837 {R2 lys 107} 41.959 28.369 12.695 {R1 lys 107}P 42.689 30.145 13.841 {R2 lys 107} 42.713 28.433 12.573 {R1 lys 107}P 43.491 30.023 13.881 {R2 lys 107} 43.467 28.519 12.482 {R1 leu a 108}P 43.491 30.023 13.881 {R2 leu a 108} 43.467 28.519 12.482 {R1 leu 108}P 44.289 29.87 13.974 {R2 leu 108} 44.227 28.655 12.451 {R1 leu 108}P 45.082 29.696 14.126 {R2 leu 108} 44.998 28.857 12.499 {R1 leu 108}P 45.858 29.516 14.306 {R2 leu 108} 45.794 29.104 12.618 {R1 leu 108}P 46.602 29.344 14.474 {R2 leu 108} 46.631 29.364 12.789 @vectorlist {ribbon} color= bluetint master= {domain 1} {ca ile a 16}P 28.886 10.178 24.848 {R1 val a 17} width4 27.89 8.83 25.625 {R1 val 17} width4 27.558 8.38 25.884 {R1 val 17} width4 26.894 7.481 26.402 {R1 val 17} width4 26.672 6.651 26.374 {R1 asn a 18}P 26.672 6.651 26.374 {R1 asn 18} width4 26.578 6.028 26.304 {R1 asn 18} width4 26.722 5.509 26.012 {R1 asn 18} width4 27.065 5.094 25.568 {R1 asn 18} width4 27.562 4.76 25.05 {R1 gly a 19}P 27.562 4.76 25.05 {R1 gly 19} width4 28.164 4.482 24.533 {R1 gly 19} width4 28.831 4.239 24.081 {R1 gly 19} width4 29.551 4.025 23.706 {R1 gly 19} width4 30.313 3.835 23.41 {R1 glu a 20}P 30.313 3.835 23.41 {R1 glu 20} width4 31.112 3.664 23.191 {R1 glu 20} width4 31.936 3.514 23.042 {R1 glu 20} width4 32.766 3.397 22.926 {R1 glu 20} width4 33.582 3.33 22.796 {R1 glu a 21}P 33.582 3.33 22.796 {R1 glu 21} width4 34.361 3.333 22.608 {R1 glu 21} width4 35.087 3.411 22.324 {R1 glu 21} width4 35.766 3.535 21.952 {R1 glu 21} width4 36.409 3.666 21.504 {R1 ala a 22}P 36.409 3.666 21.504 {R1 ala 22} width4 37.027 3.764 20.998 {R1 ala 22} width4 37.631 3.802 20.451 {R1 ala 22} width4 38.233 3.80 19.903 {R1 ala 22} width4 38.844 3.792 19.397 {R1 val a 23}P 38.844 3.792 19.397 {R1 val 23} width4 39.478 3.811 18.975 {R1 val 23} width4 40.141 3.889 18.668 {R1 val 23} width4 40.828 4.051 18.45 {R1 val 23} width4 41.528 4.322 18.284 {R1 pro a 24}P 41.528 4.322 18.284 {R1 pro 24} width4 42.23 4.725 18.133 {R1 pro 24} width4 42.912 5.265 17.96 {R1 pro 24} width4 43.508 5.867 17.736 {R1 pro 24} width4 43.943 6.435 17.435 {R1 gly a 25}P 43.943 6.435 17.435 {R1 gly 25} width4 44.138 6.874 17.029 {R1 gly 25} width4 44.039 7.116 16.505 {R1 gly 25} width4 43.68 7.203 15.914 {R1 gly 25} width4 43.117 7.204 15.321 {R1 ser a 26}P 43.117 7.204 15.321 {R1 ser 26} width4 42.404 7.186 14.79 {R1 ser 26} width4 41.608 7.215 14.372 {R1 ser 26} width4 40.831 7.329 14.061 {R1 ser 26} width4 40.185 7.567 13.835 {R1 trp a 27}P 40.185 7.567 13.835 {R1 trp 27} width4 39.783 7.962 13.676 {R1 trp 27} width4 39.701 8.536 13.56 {R1 trp 27} width4 39.879 9.25 13.458 {R1 trp 27} width4 40.218 10.048 13.337 {R1 pro a 28}P 40.218 10.048 13.337 {R1 pro 28} width4 40.621 10.876 13.167 {R1 pro 28} width4 41.00 11.685 12.933 {R1 pro 28} width4 41.298 12.446 12.699 {R1 pro 28} width4 41.466 13.135 12.547 {R1 trp a 29}P 41.957 13.669 12.939 {R2 trp a 29} 40.975 12.601 12.155 @vectorlist {barrel 1} color= bluetint master= {domain 1} {R1 trp a 29}P 41.957 13.669 12.939 {R1 trp 29} 42.008 14.309 12.835 {R1 trp 29} 41.756 14.867 12.979 {R1 trp 29} 41.286 15.35 13.338 {R1 trp 29} 40.715 15.768 13.851 {R2 trp a 29}P 40.975 12.601 12.155 {R2 trp 29} 40.901 13.149 12.281 {R2 trp 29} 40.72 13.561 12.602 {R2 trp 29} 40.494 13.874 13.091 {R2 trp 29} 40.292 14.141 13.70 {R1 gln a 30}P 40.715 15.768 13.851 {R1 gln 30} 40.164 16.129 14.459 {R1 gln 30} 39.731 16.444 15.109 {R1 gln 30} 39.422 16.726 15.785 {R1 gln 30} 39.224 16.986 16.482 {R2 gln a 30}P 40.292 14.141 13.70 {R2 gln 30} 40.186 14.416 14.381 {R2 gln 30} 40.227 14.742 15.095 {R2 gln 30} 40.385 15.128 15.827 {R2 gln 30} 40.614 15.575 16.57 {R1 val a 31}P 39.224 16.986 16.482 {R1 val 31} 39.121 17.236 17.193 {R1 val 31} 39.096 17.49 17.91 {R1 val 31} 39.124 17.767 18.631 {R1 val 31} 39.173 18.087 19.352 {R2 val a 31}P 40.614 15.575 16.57 {R2 val 31} 40.862 16.082 17.317 {R2 val 31} 41.089 16.645 18.06 {R2 val 31} 41.276 17.249 18.781 {R2 val 31} 41.411 17.873 19.465 {R1 ser a 32}P 39.173 18.087 19.352 {R1 ser 32} 39.217 18.468 20.07 {R1 ser 32} 39.234 18.922 20.782 {R1 ser 32} 39.242 19.43 21.481 {R1 ser 32} 39.267 19.964 22.161 {R2 ser a 32}P 41.411 17.873 19.465 {R2 ser 32} 41.483 18.499 20.094 {R2 ser 32} 41.487 19.112 20.656 {R2 ser 32} 41.453 19.717 21.166 {R2 ser 32} 41.414 20.322 21.645 {R1 leu a 33}P 39.267 19.964 22.161 {R1 leu 33} 39.335 20.496 22.817 {R1 leu 33} 39.467 21.004 23.445 {R1 leu 33} 39.652 21.492 24.061 {R1 leu 33} 39.874 21.967 24.681 {R2 leu a 33}P 41.414 20.322 21.645 {R2 leu 33} 41.406 20.938 22.112 {R2 leu 33} 41.456 21.569 22.586 {R2 leu 33} 41.553 22.206 23.075 {R2 leu 33} 41.675 22.834 23.582 {R1 gln a 34}P 39.874 21.967 24.681 {R1 gln 34} 40.117 22.439 25.323 {R1 gln 34} 40.37 22.916 25.995 {R1 gln 34} 40.648 23.401 26.663 {R1 gln 34} 40.971 23.899 27.285 {R2 gln a 34}P 41.675 22.834 23.582 {R2 gln 34} 41.802 23.438 24.113 {R2 gln 34} 41.918 24.009 24.672 {R2 gln 34} 42.019 24.561 25.262 {R2 gln 34} 42.107 25.111 25.881 {R1 asp a 35}P 40.971 23.899 27.285 {R1 asp 35} 41.359 24.412 27.816 {R1 asp 35} 41.824 24.939 28.235 {R1 asp 35} 42.351 25.466 28.595 {R1 asp 35} 42.916 25.973 28.974 {R2 asp a 35}P 42.107 25.111 25.881 {R2 asp 35} 42.181 25.68 26.532 {R2 asp 35} 42.247 26.273 27.215 {R2 asp 35} 42.325 26.859 27.93 {R2 asp 35} 42.439 27.391 28.675 {R1 asp 35} 42.916 25.973 28.974 {R1 lys a 36}P 42.678 26.682 28.825 {R1 lys 36} width4 43.055 27.134 29.449 {R1 lys 36} width4 43.462 27.484 30.153 {R1 lys 36} width4 43.862 27.696 30.866 {R1 lys 36} width4 44.209 27.729 31.50 {R1 thr a 37}P 44.209 27.729 31.50 {R1 thr 37} width4 44.457 27.546 31.964 {R1 thr 37} width4 44.572 27.127 32.191 {R1 thr 37} width4 44.566 26.528 32.212 {R1 thr 37} width4 44.464 25.826 32.078 {R1 gly a 38}P 45.337 25.497 32.305 {R2 gly a 38} 43.591 26.155 31.851 {R1 gly a 38}P 45.337 25.497 32.305 {R1 gly 38} 45.135 24.721 32.116 {R1 gly 38} 44.872 23.942 31.819 {R1 gly 38} 44.542 23.189 31.45 {R1 gly 38} 44.131 22.476 31.045 {R2 gly a 38}P 43.591 26.155 31.851 {R2 gly 38} 43.443 25.473 31.573 {R2 gly 38} 43.248 24.864 31.292 {R2 gly 38} 43.00 24.326 31.014 {R2 gly 38} 42.688 23.841 30.729 {R1 phe a 39}P 44.131 22.476 31.045 {R1 phe 39} 43.626 21.821 30.64 {R1 phe 39} 43.019 21.242 30.266 {R1 phe 39} 42.324 20.766 29.927 {R1 phe 39} 41.56 20.421 29.626 {R2 phe a 39}P 42.688 23.841 30.729 {R2 phe 39} 42.302 23.388 30.426 {R2 phe 39} 41.837 22.958 30.095 {R2 phe 39} 41.312 22.561 29.732 {R2 phe 39} 40.755 22.219 29.328 {R1 his a 40}P 41.56 20.421 29.626 {R1 his 40} 40.748 20.236 29.362 {R1 his 40} 39.906 20.229 29.13 {R1 his 40} 39.056 20.364 28.895 {R1 his 40} 38.219 20.597 28.615 {R2 his a 40}P 40.755 22.219 29.328 {R2 his 40} 40.188 21.95 28.879 {R2 his 40} 39.636 21.769 28.384 {R2 his 40} 39.104 21.659 27.867 {R2 his 40} 38.599 21.602 27.355 {R1 phe a 41}P 38.219 20.597 28.615 {R1 phe 41} 37.416 20.881 28.249 {R1 phe 41} 36.67 21.17 27.765 {R1 phe 41} 36.002 21.417 27.167 {R1 phe 41} 35.437 21.576 26.467 {R2 phe a 41}P 38.599 21.602 27.355 {R2 phe 41} 38.125 21.576 26.879 {R2 phe 41} 37.687 21.56 26.457 {R2 phe 41} 37.302 21.531 26.061 {R2 phe 41} 36.988 21.467 25.654 {R1 cys a 42}P 35.437 21.576 26.467 {R1 cys 42} 34.996 21.599 25.679 {R1 cys 42} 34.697 21.461 24.82 {R1 cys 42} 34.533 21.223 23.926 {R1 cys 42} 34.491 20.967 23.035 {R2 cys a 42}P 36.988 21.467 25.654 {R2 cys 42} 36.761 21.342 25.199 {R2 cys 42} 36.633 21.142 24.664 {R2 cys 42} 36.585 20.88 24.044 {R2 cys 42} 36.593 20.574 23.338 {R1 gly a 43}P 34.491 20.967 23.035 {R1 gly 43} 34.559 20.774 22.188 {R1 gly 43} 34.722 20.706 21.41 {R1 gly 43} 34.955 20.738 20.666 {R1 gly 43} 35.23 20.823 19.91 {R2 gly a 43}P 36.593 20.574 23.338 {R2 gly 43} 36.631 20.247 22.547 {R2 gly 43} 36.679 19.917 21.68 {R2 gly 43} 36.733 19.606 20.77 {R2 gly 43} 36.798 19.334 19.86 {R1 gly a 44}P 35.23 20.823 19.91 {R1 gly 44} 35.522 20.914 19.093 {R1 gly 44} 35.811 20.974 18.185 {R1 gly 44} 36.104 20.999 17.223 {R1 gly 44} 36.418 20.991 16.264 {R2 gly a 44}P 36.798 19.334 19.86 {R2 gly 44} 36.874 19.124 18.993 {R2 gly 44} 36.967 18.988 18.198 {R2 gly 44} 37.095 18.908 17.458 {R2 gly 44} 37.279 18.861 16.742 {R1 ser a 45}P 36.418 20.991 16.264 {R1 ser 45} 36.768 20.955 15.361 {R1 ser 45} 37.165 20.897 14.556 {R1 ser 45} 37.597 20.839 13.835 {R1 ser 45} 38.045 20.804 13.169 {R2 ser a 45}P 37.279 18.861 16.742 {R2 ser 45} 37.541 18.82 16.021 {R2 ser 45} 37.888 18.768 15.27 {R2 ser 45} 38.282 18.723 14.492 {R2 ser 45} 38.669 18.708 13.695 {R1 leu a 46}P 38.045 20.804 13.169 {R1 leu 46} 38.491 20.817 12.532 {R1 leu 46} 38.921 20.893 11.901 {R1 leu 46} 39.329 21.018 11.285 {R1 leu 46} 39.711 21.168 10.701 {R2 leu a 46}P 38.669 18.708 13.695 {R2 leu 46} 38.997 18.747 12.887 {R2 leu 46} 39.231 18.86 12.075 {R2 leu 46} 39.399 19.044 11.264 {R2 leu 46} 39.546 19.291 10.46 {R1 ile a 47}P 39.711 21.168 10.701 {R1 ile 47} 40.064 21.318 10.165 {R1 ile 47} 40.392 21.449 9.692 {R1 ile 47} 40.726 21.559 9.293 {R1 ile 47} 41.102 21.65 8.977 {R2 ile a 47}P 39.546 19.291 10.46 {R2 ile 47} 39.717 19.592 9.667 {R2 ile 47} 39.955 19.937 8.898 {R2 ile 47} 40.287 20.306 8.19 {R2 ile 47} 40.738 20.679 7.589 {R1 asn a 48}P 41.102 21.65 8.977 {R1 asn 48} 41.56 21.724 8.756 {R1 asn 48} 42.126 21.788 8.635 {R1 asn 48} 42.796 21.87 8.604 {R1 asn 48} 43.553 22.004 8.65 {R2 asn a 48}P 40.738 20.679 7.589 {R2 asn 48} 41.333 21.031 7.141 {R2 asn 48} 42.078 21.35 6.878 {R2 asn 48} 42.912 21.65 6.785 {R2 asn 48} 43.756 21.953 6.835 {R1 asn 48} 43.553 22.004 8.65 {R1 glu a 49}P 43.655 21.978 7.743 {R1 glu 49} width4 44.457 22.251 7.88 {R1 glu 49} width4 45.207 22.598 8.087 {R1 glu 49} width4 45.821 23.004 8.343 {R1 glu 49} width4 46.206 23.446 8.626 {R1 asn a 50}P 46.206 23.446 8.626 {R1 asn 50} width4 46.272 23.904 8.916 {R1 asn 50} width4 45.962 24.35 9.199 {R1 asn 50} width4 45.355 24.75 9.483 {R1 asn 50} width4 44.567 25.066 9.783 {R1 trp a 51}P 44.884 25.68 10.314 {R2 trp a 51} 44.251 24.453 9.253 {R1 trp a 51}P 44.884 25.68 10.314 {R1 trp 51} 43.908 26.03 10.629 {R1 trp 51} 42.976 26.20 10.999 {R1 trp 51} 42.103 26.219 11.399 {R1 trp 51} 41.276 26.134 11.797 {R2 trp a 51}P 44.251 24.453 9.253 {R2 trp 51} 43.518 24.491 9.599 {R2 trp 51} 42.796 24.417 9.97 {R2 trp 51} 42.084 24.255 10.364 {R2 trp 51} 41.37 24.041 10.775 {R1 val a 52}P 41.276 26.134 11.797 {R1 val 52} 40.486 25.991 12.159 {R1 val 52} 39.721 25.833 12.463 {R1 val 52} 38.968 25.678 12.725 {R1 val 52} 38.217 25.538 12.973 {R2 val a 52}P 41.37 24.041 10.775 {R2 val 52} 40.636 23.809 11.196 {R2 val 52} 39.875 23.588 11.623 {R2 val 52} 39.103 23.394 12.059 {R2 val 52} 38.346 23.235 12.508 {R1 val a 53}P 38.217 25.538 12.973 {R1 val 53} 37.455 25.427 13.23 {R1 val 53} 36.677 25.353 13.52 {R1 val 53} 35.898 25.312 13.845 {R1 val 53} 35.14 25.293 14.203 {R2 val a 53}P 38.346 23.235 12.508 {R2 val 53} 37.627 23.123 12.973 {R2 val 53} 36.963 23.066 13.461 {R2 val 53} 36.339 23.068 13.981 {R2 val 53} 35.731 23.131 14.543 {R1 thr a 54}P 35.14 25.293 14.203 {R1 thr 54} 34.424 25.286 14.591 {R1 thr 54} 33.765 25.289 15.006 {R1 thr 54} 33.15 25.324 15.436 {R1 thr 54} 32.561 25.421 15.867 {R2 thr a 54}P 35.731 23.131 14.543 {R2 thr 54} 35.118 23.257 15.159 {R2 thr 54} 34.484 23.452 15.828 {R2 thr 54} 33.853 23.724 16.51 {R2 thr 54} 33.253 24.086 17.152 {R1 ala a 55}P 32.561 25.421 15.867 {R1 ala 55} 31.978 25.608 16.285 {R1 ala 55} 31.389 25.907 16.681 {R1 ala 55} 30.804 26.296 17.068 {R1 ala 55} 30.24 26.747 17.465 {R2 ala a 55}P 33.253 24.086 17.152 {R2 ala 55} 32.715 24.549 17.702 {R2 ala 55} 32.26 25.12 18.125 {R2 ala 55} 31.865 25.78 18.456 {R2 ala 55} 31.497 26.503 18.747 {R1 ala 55} 30.24 26.747 17.465 {R1 ala a 56}P 30.869 26.625 18.106 {R1 ala 56} width4 30.419 27.248 18.469 {R1 ala 56} width4 29.988 27.87 18.881 {R1 ala 56} width4 29.609 28.417 19.348 {R1 ala 56} width4 29.328 28.802 19.87 {R1 his a 57}P 29.328 28.802 19.87 {R1 his 57} width4 29.189 28.943 20.45 {R1 his 57} width4 29.225 28.793 21.077 {R1 his 57} width4 29.423 28.465 21.706 {R1 his 57} width4 29.757 28.108 22.284 {R1 cys a 58}P 29.757 28.108 22.284 {R1 cys 58} width4 30.203 27.876 22.756 {R1 cys 58} width4 30.735 27.88 23.082 {R1 cys 58} width4 31.326 28.087 23.273 {R1 cys 58} width4 31.951 28.426 23.359 {R1 gly a 59}P 31.951 28.426 23.359 {R1 gly 59} width4 32.583 28.824 23.366 {R1 gly 59} width4 33.203 29.22 23.319 {R1 gly 59} width4 33.819 29.60 23.232 {R1 gly 59} width4 34.446 29.959 23.12 {R1 val a 60}P 34.446 29.959 23.12 {R1 val 60} width4 35.102 30.294 22.994 {R1 val 60} width4 35.797 30.602 22.866 {R1 val 60} width4 36.524 30.898 22.74 {R1 val 60} width4 37.273 31.198 22.62 {R1 thr a 61}P 37.273 31.198 22.62 {R1 thr 61} width4 38.032 31.518 22.507 {R1 thr 61} width4 38.794 31.867 22.408 {R1 thr 61} width4 39.565 32.228 22.337 {R1 thr 61} width4 40.354 32.572 22.311 {R1 thr a 62}P 40.354 32.572 22.311 {R1 thr 62} width4 41.171 32.874 22.348 {R1 thr 62} width4 42.008 33.104 22.459 {R1 thr 62} width4 42.795 33.224 22.64 {R1 thr 62} width4 43.445 33.19 22.879 {R1 ser a 63}P 42.819 33.673 23.138 {R2 ser a 63} 44.071 32.707 22.62 {R1 ser a 63}P 42.819 33.673 23.138 {R1 ser 63} 43.149 33.35 23.394 {R1 ser 63} 43.248 32.86 23.605 {R1 ser 63} 43.197 32.244 23.753 {R1 ser 63} 43.101 31.55 23.822 {R2 ser a 63}P 44.071 32.707 22.62 {R2 ser 63} 44.593 32.572 22.939 {R2 ser 63} 44.789 32.165 23.365 {R2 ser 63} 44.72 31.535 23.832 {R2 ser 63} 44.486 30.758 24.256 {R1 asp a 64}P 43.101 31.55 23.822 {R1 asp 64} 43.068 30.828 23.798 {R1 asp 64} 43.178 30.12 23.668 {R1 asp 64} 43.411 29.422 23.443 {R1 asp 64} 43.715 28.725 23.135 {R2 asp a 64}P 44.486 30.758 24.256 {R2 asp 64} 44.186 29.91 24.556 {R2 asp 64} 43.904 29.056 24.666 {R2 asp 64} 43.665 28.224 24.601 {R2 asp 64} 43.48 27.43 24.392 {R1 val a 65}P 43.715 28.725 23.135 {R1 val 65} 44.042 28.018 22.76 {R1 val 65} 44.351 27.29 22.334 {R1 val 65} 44.631 26.546 21.891 {R1 val 65} 44.877 25.788 21.468 {R2 val a 65}P 43.48 27.43 24.392 {R2 val 65} 43.362 26.693 24.071 {R2 val 65} 43.314 26.02 23.668 {R2 val 65} 43.32 25.389 23.216 {R2 val 65} 43.356 24.77 22.744 {R1 val a 66}P 44.877 25.788 21.468 {R1 val 66} 45.085 25.021 21.104 {R1 val 66} 45.256 24.251 20.824 {R1 val 66} 45.405 23.481 20.606 {R1 val 66} 45.55 22.716 20.42 {R2 val a 66}P 43.356 24.77 22.744 {R2 val 66} 43.396 24.131 22.284 {R2 val 66} 43.425 23.449 21.86 {R2 val 66} 43.454 22.728 21.472 {R2 val 66} 43.50 21.98 21.112 {R1 val a 67}P 45.55 22.716 20.42 {R1 val 67} 45.711 21.962 20.231 {R1 val 67} 45.902 21.22 20.014 {R1 val 67} 46.113 20.483 19.771 {R1 val 67} 46.332 19.742 19.509 {R2 val a 67}P 43.50 21.98 21.112 {R2 val 67} 43.582 21.218 20.774 {R2 val 67} 43.713 20.451 20.448 {R2 val 67} 43.889 19.686 20.118 {R2 val 67} 44.102 18.927 19.761 {R1 ala a 68}P 46.332 19.742 19.509 {R1 ala 68} 46.544 18.988 19.237 {R1 ala 68} 46.736 18.213 18.967 {R1 ala 68} 46.894 17.419 18.734 {R1 ala 68} 47.006 16.613 18.578 {R2 ala a 68}P 44.102 18.927 19.761 {R2 ala 68} 44.344 18.177 19.356 {R2 ala 68} 44.603 17.445 18.902 {R2 ala 68} 44.863 16.751 18.466 {R2 ala 68} 45.102 16.12 18.136 {R1 gly a 69}P 47.006 16.613 18.578 {R1 gly 69} 47.059 15.797 18.537 {R1 gly 69} 47.043 14.982 18.642 {R1 gly 69} 46.964 14.193 18.887 {R1 gly 69} 46.831 13.461 19.256 {R2 gly a 69}P 45.102 16.12 18.136 {R2 gly 69} 45.30 15.577 17.999 {R2 gly 69} 45.437 15.133 18.113 {R2 gly 69} 45.496 14.748 18.43 {R2 gly 69} 45.46 14.371 18.871 {R1 gly 69} 46.831 13.461 19.256 {R1 glu a 70}P 46.145 13.916 19.063 {R1 glu 70} width4 45.981 13.381 19.546 {R1 glu 70} width4 45.739 12.858 20.068 {R1 glu 70} width4 45.448 12.346 20.617 {R1 glu 70} width4 45.142 11.849 21.189 {R1 phe a 71}P 45.142 11.849 21.189 {R1 phe 71} width4 44.855 11.369 21.777 {R1 phe 71} width4 44.616 10.916 22.38 {R1 phe 71} width4 44.428 10.527 23.003 {R1 phe 71} width4 44.288 10.243 23.654 {R1 asp a 72}P 44.288 10.243 23.654 {R1 asp 72} width4 44.194 10.109 24.34 {R1 asp 72} width4 44.144 10.152 25.066 {R1 asp 72} width4 44.136 10.333 25.821 {R1 asp 72} width4 44.168 10.599 26.593 {R1 gln a 73}P 44.168 10.599 26.593 {R1 gln 73} width4 44.239 10.896 27.367 {R1 gln 73} width4 44.353 11.173 28.125 {R1 gln 73} width4 44.532 11.397 28.834 {R1 gln 73} width4 44.802 11.54 29.457 {R1 gly a 74}P 44.802 11.54 29.457 {R1 gly 74} width4 45.19 11.571 29.953 {R1 gly 74} width4 45.712 11.477 30.30 {R1 gly 74} width4 46.346 11.303 30.521 {R1 gly 74} width4 47.059 11.11 30.655 {R1 ser a 75}P 47.059 11.11 30.655 {R1 ser 75} width4 47.818 10.957 30.739 {R1 ser 75} width4 48.594 10.894 30.804 {R1 ser 75} width4 49.369 10.928 30.859 {R1 ser 75} width4 50.133 11.053 30.905 {R1 ser a 76}P 50.133 11.053 30.905 {R1 ser 76} width4 50.872 11.263 30.943 {R1 ser 76} width4 51.569 11.546 30.963 {R1 ser 76} width4 52.186 11.857 30.909 {R1 ser 76} width4 52.68 12.144 30.715 {R1 ser a 77}P 52.68 12.144 30.715 {R1 ser 77} width4 53.008 12.353 30.311 {R1 ser 77} width4 53.146 12.447 29.657 {R1 ser 77} width4 53.136 12.448 28.808 {R1 ser 77} width4 53.041 12.392 27.846 {R1 glu a 78}P 53.041 12.392 27.846 {R1 glu 78} width4 52.921 12.315 26.853 {R1 glu 78} width4 52.826 12.253 25.897 {R1 glu 78} width4 52.749 12.232 24.996 {R1 glu 78} width4 52.67 12.281 24.156 {R1 lys a 79}P 52.67 12.281 24.156 {R1 lys 79} width4 52.57 12.424 23.382 {R1 lys 79} width4 52.434 12.683 22.678 {R1 lys 79} width4 52.259 13.055 22.044 {R1 lys 79} width4 52.047 13.529 21.482 {R1 ile a 80}P 51.543 12.766 21.039 {R2 ile a 80}P 52.55 14.293 21.924 {R1 ile a 80}P 51.543 12.766 21.039 {R1 ile 80} 51.185 13.425 20.549 {R1 ile 80} 50.782 14.193 20.177 {R1 ile 80} 50.362 15.037 19.911 {R1 ile 80} 49.958 15.92 19.732 {R2 ile a 80}P 52.55 14.293 21.924 {R2 ile 80} 52.413 14.771 21.429 {R2 ile 80} 52.26 15.308 20.958 {R2 ile 80} 52.094 15.901 20.539 {R2 ile 80} 51.919 16.55 20.205 {R1 gln a 81}P 49.958 15.92 19.732 {R1 gln 81} 49.606 16.805 19.626 {R1 gln 81} 49.328 17.659 19.575 {R1 gln 81} 49.108 18.477 19.561 {R1 gln 81} 48.92 19.257 19.569 {R2 gln a 81}P 51.919 16.55 20.205 {R2 gln 81} 51.735 17.254 19.988 {R2 gln 81} 51.546 18.012 19.909 {R2 gln 81} 51.349 18.809 19.929 {R2 gln 81} 51.139 19.63 19.996 {R1 lys a 82}P 48.92 19.257 19.569 {R1 lys 82} 48.736 19.997 19.581 {R1 lys 82} 48.534 20.703 19.583 {R1 lys 82} 48.32 21.393 19.573 {R1 lys 82} 48.101 22.094 19.552 {R2 lys a 82}P 51.139 19.63 19.996 {R2 lys 82} 50.911 20.457 20.059 {R2 lys 82} 50.665 21.276 20.074 {R2 lys 82} 50.412 22.083 20.027 {R2 lys 82} 50.163 22.875 19.913 {R1 leu a 83}P 48.101 22.094 19.552 {R1 leu 83} 47.886 22.829 19.518 {R1 leu 83} 47.683 23.618 19.475 {R1 leu 83} 47.489 24.45 19.431 {R1 leu 83} 47.299 25.307 19.397 {R2 leu a 83}P 50.163 22.875 19.913 {R2 leu 83} 49.931 23.65 19.727 {R2 leu 83} 49.723 24.403 19.471 {R2 leu 83} 49.507 25.129 19.167 {R2 leu 83} 49.245 25.822 18.845 {R1 lys a 84}P 47.299 25.307 19.397 {R1 lys 84} 47.107 26.172 19.385 {R1 lys 84} 46.91 27.029 19.395 {R1 lys 84} 46.712 27.866 19.397 {R1 lys 84} 46.518 28.675 19.351 {R2 lys a 84}P 49.245 25.822 18.845 {R2 lys 84} 48.901 26.474 18.534 {R2 lys 84} 48.448 27.084 18.256 {R2 lys 84} 47.918 27.664 17.998 {R2 lys 84} 47.356 28.23 17.738 {R1 ile a 85}P 46.518 28.675 19.351 {R1 ile 85} 46.332 29.445 19.217 {R1 ile 85} 46.156 30.169 18.967 {R1 ile 85} 45.975 30.855 18.621 {R1 ile 85} 45.77 31.515 18.211 {R2 ile a 85}P 47.356 28.23 17.738 {R2 ile 85} 46.806 28.80 17.455 {R2 ile 85} 46.303 29.383 17.135 {R2 ile 85} 45.848 29.969 16.793 {R2 ile 85} 45.433 30.541 16.453 {R1 ala a 86}P 45.77 31.515 18.211 {R1 ala 86} 45.522 32.159 17.771 {R1 ala 86} 45.211 32.792 17.331 {R1 ala 86} 44.816 33.383 16.924 {R1 ala 86} 44.315 33.896 16.582 {R2 ala a 86}P 45.433 30.541 16.453 {R2 ala 86} 45.05 31.082 16.137 {R2 ala 86} 44.685 31.574 15.864 {R2 ala 86} 44.309 32.002 15.637 {R2 ala 86} 43.886 32.345 15.455 {R1 lys a 87}P 44.315 33.896 16.582 {R1 lys 87} 43.686 34.294 16.338 {R1 lys 87} 42.921 34.551 16.208 {R1 lys 87} 42.06 34.689 16.147 {R1 lys 87} 41.161 34.741 16.098 {R2 lys a 87}P 43.886 32.345 15.455 {R2 lys 87} 43.38 32.588 15.315 {R2 lys 87} 42.768 32.719 15.215 {R2 lys 87} 42.062 32.758 15.141 {R2 lys 87} 41.287 32.732 15.078 {R1 val a 88}P 41.161 34.741 16.098 {R1 val 88} 40.279 34.74 16.00 {R1 val 88} 39.456 34.715 15.811 {R1 val 88} 38.684 34.679 15.563 {R1 val 88} 37.941 34.639 15.304 {R2 val a 88}P 41.287 32.732 15.078 {R2 val 88} 40.467 32.667 15.012 {R2 val 88} 39.624 32.589 14.93 {R2 val 88} 38.77 32.513 14.828 {R2 val 88} 37.918 32.452 14.704 {R1 phe a 89}P 37.941 34.639 15.304 {R1 phe 89} 37.208 34.604 15.082 {R1 phe 89} 36.466 34.579 14.931 {R1 phe 89} 35.717 34.558 14.826 {R1 phe 89} 34.964 34.533 14.725 {R2 phe a 89}P 37.918 32.452 14.704 {R2 phe 89} 37.077 32.418 14.559 {R2 phe 89} 36.257 32.419 14.394 {R2 phe 89} 35.452 32.446 14.233 {R2 phe 89} 34.653 32.483 14.102 {R1 lys a 90}P 34.964 34.533 14.725 {R1 lys 90} 34.212 34.496 14.588 {R1 lys 90} 33.467 34.446 14.383 {R1 lys 90} 32.737 34.402 14.116 {R1 lys 90} 32.034 34.393 13.801 {R2 lys a 90}P 34.653 32.483 14.102 {R2 lys 90} 33.854 32.515 14.028 {R2 lys 90} 33.049 32.536 14.026 {R2 lys 90} 32.252 32.579 14.069 {R2 lys 90} 31.478 32.685 14.116 {R1 lys 90} 32.034 34.393 13.801 {R1 asn a 91}P 31.756 33.539 13.959 {R1 asn 91} width4 31.057 33.672 13.791 {R1 asn 91} width4 30.404 33.912 13.582 {R1 asn 91} width4 29.779 34.247 13.343 {R1 asn 91} width4 29.156 34.652 13.093 {R1 ser a 92}P 29.156 34.652 13.093 {R1 ser 92} width4 28.512 35.103 12.85 {R1 ser 92} width4 27.833 35.565 12.633 {R1 ser 92} width4 27.152 35.964 12.482 {R1 ser 92} width4 26.517 36.213 12.435 {R1 lys a 93}P 26.517 36.213 12.435 {R1 lys 93} width4 25.973 36.229 12.534 {R1 lys 93} width4 25.552 35.959 12.806 {R1 lys 93} width4 25.229 35.488 13.229 {R1 lys 93} width4 24.966 34.934 13.767 {R1 tyr a 94}P 24.966 34.934 13.767 {R1 tyr 94} width4 24.724 34.416 14.383 {R1 tyr 94} width4 24.473 34.026 15.046 {R1 tyr 94} width4 24.212 33.762 15.745 {R1 tyr 94} width4 23.95 33.597 16.469 {R1 asn a 95}P 23.95 33.597 16.469 {R1 asn 95} width4 23.697 33.502 17.21 {R1 asn 95} width4 23.458 33.452 17.963 {R1 asn 95} width4 23.232 33.432 18.734 {R1 asn 95} width4 23.017 33.426 19.532 {R1 ser a 96}P 23.017 33.426 19.532 {R1 ser 96} width4 22.81 33.421 20.363 {R1 ser 96} width4 22.598 33.403 21.221 {R1 ser 96} width4 22.334 33.351 22.025 {R1 ser 96} width4 21.959 33.246 22.679 {R1 leu a 97}P 21.959 33.246 22.679 {R1 leu 97} width4 21.415 33.067 23.086 {R1 leu 97} width4 20.683 32.801 23.178 {R1 leu 97} width4 19.889 32.455 23.01 {R1 leu 97} width4 19.197 32.045 22.663 {R1 thr a 98}P 19.197 32.045 22.663 {R1 thr 98} width4 18.772 31.585 22.22 {R1 thr 98} width4 18.729 31.093 21.75 {R1 thr 98} width4 18.991 30.598 21.266 {R1 thr 98} width4 19.431 30.131 20.769 {R1 ile a 99}P 19.431 30.131 20.769 {R1 ile 99} width4 19.924 29.725 20.259 {R1 ile 99} width4 20.366 29.407 19.732 {R1 ile 99} width4 20.742 29.176 19.166 {R1 ile 99} width4 21.063 29.031 18.535 {R1 asn a 100}P 21.063 29.031 18.535 {R1 asn 100} width4 21.336 28.966 17.815 {R1 asn 100} width4 21.576 28.972 17.002 {R1 asn 100} width4 21.824 29.012 16.179 {R1 asn 100} width4 22.124 29.045 15.451 {R1 asn a 101}P 22.124 29.045 15.451 {R1 asn 101} width4 22.521 29.028 14.924 {R1 asn 101} width4 23.048 28.931 14.671 {R1 asn 101} width4 23.679 28.766 14.64 {R1 asn 101} width4 24.377 28.558 14.745 {R1 asp a 102}P 24.377 28.558 14.745 {R1 asp 102} width4 25.102 28.332 14.902 {R1 asp 102} width4 25.825 28.111 15.039 {R1 asp 102} width4 26.549 27.92 15.135 {R1 asp 102} width4 27.285 27.784 15.181 {R1 ile a 103}P 27.353 28.699 14.979 {R2 ile a 103} 27.218 26.87 15.383 {R1 ile a 103}P 27.353 28.699 14.979 {R1 ile 103} 27.957 28.691 14.957 {R1 ile 103} 28.617 28.777 14.905 {R1 ile 103} 29.335 28.939 14.82 {R1 ile 103} 30.108 29.146 14.701 {R2 ile a 103}P 27.218 26.87 15.383 {R2 ile 103} 28.135 26.765 15.384 {R2 ile 103} 29.062 26.757 15.293 {R2 ile 103} 29.981 26.828 15.131 {R2 ile 103} 30.874 26.954 14.929 {R1 thr a 104}P 30.108 29.146 14.701 {R1 thr 104} 30.932 29.369 14.547 {R1 thr 104} 31.80 29.582 14.36 {R1 thr 104} 32.695 29.77 14.167 {R1 thr 104} 33.596 29.92 13.996 {R2 thr a 104}P 30.874 26.954 14.929 {R2 thr 104} 31.726 27.111 14.716 {R2 thr 104} 32.523 27.276 14.516 {R2 thr 104} 33.285 27.435 14.327 {R2 thr 104} 34.034 27.574 14.144 {R1 leu a 105}P 33.596 29.92 13.996 {R1 leu 105} 34.483 30.02 13.876 {R1 leu 105} 35.341 30.065 13.829 {R1 leu 105} 36.173 30.074 13.836 {R1 leu 105} 36.99 30.072 13.869 {R2 leu a 105}P 34.034 27.574 14.144 {R2 leu 105} 34.796 27.681 13.96 {R2 leu 105} 35.587 27.748 13.771 {R2 leu 105} 36.402 27.792 13.584 {R2 leu 105} 37.226 27.832 13.41 {R1 leu a 106}P 36.99 30.072 13.869 {R1 leu 106} 37.803 30.085 13.901 {R1 leu 106} 38.619 30.13 13.911 {R1 leu 106} 39.438 30.191 13.901 {R1 leu 106} 40.257 30.243 13.88 {R2 leu a 106}P 37.226 27.832 13.41 {R2 leu 106} 38.048 27.89 13.258 {R2 leu 106} 38.856 27.979 13.135 {R2 leu 106} 39.65 28.089 13.031 {R2 leu 106} 40.431 28.202 12.931 {R1 lys a 107}P 40.257 30.243 13.88 {R1 lys 107} 41.073 30.261 13.855 {R1 lys 107} 41.884 30.228 13.837 {R1 lys 107} 42.689 30.145 13.841 {R1 lys 107} 43.491 30.023 13.881 {R2 lys a 107}P 40.431 28.202 12.931 {R2 lys 107} 41.20 28.298 12.822 {R2 lys 107} 41.959 28.369 12.695 {R2 lys 107} 42.713 28.433 12.573 {R2 lys 107} 43.467 28.519 12.482 {R1 leu a 108}P 43.491 30.023 13.881 {R1 leu 108} 44.289 29.87 13.974 {R1 leu 108} 45.082 29.696 14.126 {R1 leu 108} 45.858 29.516 14.306 {R1 leu 108} 46.602 29.344 14.474 {R2 leu a 108}P 43.467 28.519 12.482 {R2 leu 108} 44.227 28.655 12.451 {R2 leu 108} 44.998 28.857 12.499 {R2 leu 108} 45.794 29.104 12.618 {R2 leu 108} 46.631 29.364 12.789 {R1 leu 108} 46.602 29.344 14.474 {R1 ser a 109}P 46.616 29.354 13.631 {R1 ser 109} width4 47.411 29.40 13.793 {R1 ser 109} width4 48.201 29.431 13.918 {R1 ser 109} width4 48.94 29.40 13.977 {R1 ser 109} width4 49.57 29.254 13.942 {R1 thr a 110}P 49.57 29.254 13.942 {R1 thr 110} width4 50.035 28.938 13.785 {R1 thr 110} width4 50.296 28.417 13.49 {R1 thr 110} width4 50.38 27.736 13.107 {R1 thr 110} width4 50.335 26.958 12.695 {R1 ala a 111}P 50.335 26.958 12.695 {R1 ala 111} width4 50.204 26.148 12.318 {R1 ala 111} width4 50.032 25.357 12.024 {R1 ala 111} width4 49.859 24.587 11.812 {R1 ala 111} width4 49.724 23.829 11.669 {R1 ala a 112}P 49.724 23.829 11.669 {R1 ala 112} width4 49.665 23.072 11.58 {R1 ala 112} width4 49.708 22.309 11.528 {R1 ala 112} width4 49.824 21.546 11.483 {R1 ala 112} width4 49.972 20.792 11.41 {R1 ser a 113}P 49.972 20.792 11.41 {R1 ser 113} width4 50.112 20.055 11.276 {R1 ser 113} width4 50.21 19.342 11.057 {R1 ser 113} width4 50.26 18.641 10.779 {R1 ser 113} width4 50.267 17.941 10.478 {R1 phe a 114}P 50.267 17.941 10.478 {R1 phe 114} width4 50.233 17.227 10.191 {R1 phe 114} width4 50.162 16.488 9.95 {R1 phe 114} width4 50.067 15.723 9.763 {R1 phe 114} width4 49.961 14.934 9.633 {R1 ser a 115}P 49.961 14.934 9.633 {R1 ser 115} width4 49.855 14.119 9.564 {R1 ser 115} width4 49.757 13.285 9.561 {R1 ser 115} width4 49.643 12.449 9.63 {R1 ser 115} width4 49.485 11.632 9.781 {R1 gln a 116}P 49.485 11.632 9.781 {R1 gln 116} width4 49.253 10.855 10.023 {R1 gln 116} width4 48.93 10.151 10.356 {R1 gln 116} width4 48.543 9.594 10.747 {R1 gln 116} width4 48.135 9.27 11.155 {R1 thr a 117}P 48.135 9.27 11.155 {R1 thr 117} width4 47.744 9.265 11.539 {R1 thr 117} width4 47.401 9.628 11.858 {R1 thr 117} width4 47.097 10.268 12.082 {R1 thr 117} width4 46.814 11.059 12.182 {R1 val a 118}P 46.814 11.059 12.182 {R1 val 118} width4 46.531 11.873 12.13 {R1 val 118} width4 46.232 12.607 11.908 {R1 val 118} width4 45.90 13.248 11.547 {R1 val 118} width4 45.52 13.806 11.09 {R1 ser a 119}P 45.52 13.806 11.09 {R1 ser 119} width4 45.079 14.29 10.58 {R1 ser 119} width4 44.565 14.709 10.055 {R1 ser 119} width4 43.979 15.067 9.545 {R1 ser 119} width4 43.329 15.363 9.076 {R1 ala a 120}P 43.329 15.363 9.076 {R1 ala 120} width4 42.617 15.599 8.674 {R1 ala 120} width4 41.854 15.778 8.354 {R1 ala 120} width4 41.06 15.907 8.087 {R1 ala 120} width4 40.257 15.995 7.834 {R1 val a 121}P 40.257 15.995 7.834 {R1 val 121} width4 39.471 16.05 7.556 {R1 val 121} width4 38.72 16.086 7.221 {R1 val 121} width4 38.007 16.134 6.839 {R1 val 121} width4 37.331 16.228 6.426 @ribbonlist {barrel 2} color= pink master= {domain 2} {R1 gly a 133}P 16.536 9.704 7.387 {R2 gly a 133} 17.455 9.598 8.703 {R1 gly 133}P 16.73 9.20 7.701 {R2 gly 133} 17.489 9.124 9.086 {R1 gly 133}P 17.179 8.857 7.893 {R2 gly 133} 17.799 8.576 9.212 {R1 gly 133}P 17.822 8.638 8.009 {R2 gly 133} 18.336 7.999 9.14 {R1 gly 133}P 18.577 8.483 8.116 {R2 gly 133} 19.025 7.453 8.96 {R1 thr a 134}P 18.577 8.483 8.116 {R2 thr a 134} 19.025 7.453 8.96 {R1 thr 134}P 19.363 8.334 8.281 {R2 thr 134} 19.792 6.994 8.759 {R1 thr 134}P 20.114 8.146 8.555 {R2 thr 134} 20.574 6.669 8.611 {R1 thr 134}P 20.819 7.937 8.923 {R2 thr 134} 21.352 6.47 8.54 {R1 thr 134}P 21.481 7.741 9.354 {R2 thr 134} 22.118 6.378 8.559 {R1 thr a 135}P 21.481 7.741 9.354 {R2 thr a 135} 22.118 6.378 8.559 {R1 thr 135}P 22.105 7.592 9.817 {R2 thr 135} 22.863 6.37 8.677 {R1 thr 135}P 22.697 7.514 10.286 {R2 thr 135} 23.581 6.434 8.901 {R1 thr 135}P 23.273 7.494 10.749 {R2 thr 135} 24.274 6.58 9.216 {R1 thr 135}P 23.853 7.509 11.199 {R2 thr 135} 24.948 6.823 9.603 {R1 cys a 136}P 23.853 7.509 11.199 {R2 cys a 136} 24.948 6.823 9.603 {R1 cys 136}P 24.458 7.536 11.63 {R2 cys 136} 25.608 7.179 10.042 {R1 cys 136}P 25.099 7.561 12.042 {R2 cys 136} 26.255 7.654 10.515 {R1 cys 136}P 25.762 7.599 12.458 {R2 cys 136} 26.877 8.203 11.016 {R1 cys 136}P 26.426 7.676 12.91 {R2 cys 136} 27.461 8.772 11.543 {R1 val a 137}P 26.426 7.676 12.91 {R2 val a 137} 27.461 8.772 11.543 {R1 val 137}P 27.068 7.816 13.427 {R2 val 137} 27.991 9.305 12.091 {R1 val 137}P 27.673 8.034 14.028 {R2 val 137} 28.459 9.761 12.658 {R1 val 137}P 28.242 8.311 14.685 {R2 val 137} 28.884 10.154 13.247 {R1 val 137}P 28.784 8.62 15.354 {R2 val 137} 29.293 10.514 13.864 {R1 thr a 138}P 28.784 8.62 15.354 {R2 thr a 138} 29.293 10.514 13.864 {R1 thr 138}P 29.306 8.933 15.994 {R2 thr 138} 29.714 10.869 14.513 {R1 thr 138}P 29.818 9.228 16.576 {R2 thr 138} 30.165 11.239 15.196 {R1 thr 138}P 30.335 9.505 17.117 {R2 thr 138} 30.636 11.615 15.898 {R1 thr 138}P 30.872 9.772 17.649 {R2 thr 138} 31.111 11.979 16.604 {R1 thr a 139}P 30.872 9.772 17.649 {R2 thr a 139} 31.111 11.979 16.604 {R1 thr 139}P 31.447 10.034 18.201 {R2 thr 139} 31.573 12.312 17.297 {R1 thr 139}P 32.066 10.297 18.796 {R2 thr 139} 32.008 12.60 17.968 {R1 thr 139}P 32.692 10.561 19.432 {R2 thr 139} 32.425 12.851 18.634 {R1 thr 139}P 33.28 10.823 20.098 {R2 thr 139} 32.836 13.075 19.322 {R1 gly a 140}P 33.28 10.823 20.098 {R2 gly a 140} 32.836 13.075 19.322 {R1 gly 140}P 33.783 11.083 20.784 {R2 gly 140} 33.251 13.283 20.059 {R1 gly 140}P 34.162 11.339 21.477 {R2 gly 140} 33.674 13.482 20.862 {R1 gly 140}P 34.409 11.599 22.159 {R2 gly 140} 34.072 13.659 21.719 {R1 gly 140}P 34.526 11.873 22.808 {R2 gly 140} 34.403 13.796 22.607 {R1 trp 141}P 34.526 11.873 22.808 {R2 trp 141} 34.403 13.796 22.607 {R1 trp 141}P 34.511 12.17 23.405 {R2 trp 141} 34.624 13.875 23.506 {R1 trp 141}P 34.37 12.49 23.94 {R2 trp 141} 34.702 13.885 24.393 {R1 trp 141}P 34.124 12.801 24.442 {R2 trp 141} 34.631 13.84 25.241 {R1 trp 141}P 33.799 13.063 24.954 {R2 trp 141} 34.41 13.763 26.021 @vectorlist {ribbon} color= bluetint master= {domain 2} {R1 cys a 122}P 37.331 16.228 6.426 {R1 cys 122} width4 36.692 16.405 6.001 {R1 cys 122} width4 36.086 16.688 5.579 {R1 cys 122} width4 35.494 17.05 5.172 {R1 cys 122} width4 34.898 17.453 4.792 {R1 leu a 123}P 34.898 17.453 4.792 {R1 leu 123} width4 34.276 17.858 4.449 {R1 leu 123} width4 33.614 18.232 4.147 {R1 leu 123} width4 32.926 18.575 3.862 {R1 leu 123} width4 32.228 18.891 3.563 {R1 pro a 124}P 32.228 18.891 3.563 {R1 pro 124} width4 31.539 19.184 3.217 {R1 pro 124} width4 30.874 19.462 2.805 {R1 pro 124} width4 30.231 19.746 2.356 {R1 pro 124} width4 29.607 20.058 1.911 {R1 ser a 125}P 29.607 20.058 1.911 {R1 ser 125} width4 28.997 20.421 1.51 {R1 ser 125} width4 28.393 20.848 1.184 {R1 ser 125} width4 27.779 21.317 0.92 {R1 ser 125} width4 27.133 21.793 0.698 {R1 ala a 126}P 27.133 21.793 0.698 {R1 ala 126} width4 26.436 22.246 0.495 {R1 ala 126} width4 25.684 22.635 0.294 {R1 ala 126} width4 24.939 22.90 0.097 {R1 ala 126} width4 24.276 22.974 -0.092 {R1 ser a 127}P 24.276 22.974 -0.092 {R1 ser 127} width4 23.774 22.792 -0.265 {R1 ser 127} width4 23.482 22.314 -0.415 {R1 ser 127} width4 23.35 21.612 -0.521 {R1 ser 127} width4 23.298 20.782 -0.558 {R1 asp a 128}P 23.298 20.782 -0.558 {R1 asp 128} width4 23.249 19.923 -0.503 {R1 asp 128} width4 23.141 19.116 -0.338 {R1 asp 128} width4 22.974 18.37 -0.074 {R1 asp 128} width4 22.765 17.677 0.276 {R1 asp a 129}P 22.765 17.677 0.276 {R1 asp 129} width4 22.529 17.03 0.694 {R1 asp 129} width4 22.28 16.419 1.165 {R1 asp 129} width4 22.019 15.839 1.667 {R1 asp 129} width4 21.746 15.28 2.18 {R1 phe a 130}P 21.746 15.28 2.18 {R1 phe 130} width4 21.459 14.736 2.682 {R1 phe 130} width4 21.154 14.202 3.156 {R1 phe 130} width4 20.818 13.686 3.606 {R1 phe 130} width4 20.436 13.198 4.043 {R1 ala a 131}P 20.436 13.198 4.043 {R1 ala 131} width4 19.991 12.748 4.476 {R1 ala 131} width4 19.476 12.34 4.915 {R1 ala 131} width4 18.922 11.954 5.372 {R1 ala 131} width4 18.369 11.563 5.862 {R1 ala a 132}P 18.369 11.563 5.862 {R1 ala 132} width4 17.854 11.14 6.398 {R1 ala 132} width4 17.42 10.667 6.979 {R1 ala 132} width4 17.116 10.162 7.551 {R1 ala 132} width4 16.995 9.651 8.045 {R1 gly a 133}P 16.536 9.704 7.387 {R2 gly a 133} 17.455 9.598 8.703 {R1 gly a 133}P 16.536 9.704 7.387 {R1 gly 133} 16.73 9.20 7.701 {R1 gly 133} 17.179 8.857 7.893 {R1 gly 133} 17.822 8.638 8.009 {R1 gly 133} 18.577 8.483 8.116 {R2 gly a 133}P 17.455 9.598 8.703 {R2 gly 133} 17.489 9.124 9.086 {R2 gly 133} 17.799 8.576 9.212 {R2 gly 133} 18.336 7.999 9.14 {R2 gly 133} 19.025 7.453 8.96 {R1 thr a 134}P 18.577 8.483 8.116 {R1 thr 134} 19.363 8.334 8.281 {R1 thr 134} 20.114 8.146 8.555 {R1 thr 134} 20.819 7.937 8.923 {R1 thr 134} 21.481 7.741 9.354 {R2 thr a 134}P 19.025 7.453 8.96 {R2 thr 134} 19.792 6.994 8.759 {R2 thr 134} 20.574 6.669 8.611 {R2 thr 134} 21.352 6.47 8.54 {R2 thr 134} 22.118 6.378 8.559 {R1 thr a 135}P 21.481 7.741 9.354 {R1 thr 135} 22.105 7.592 9.817 {R1 thr 135} 22.697 7.514 10.286 {R1 thr 135} 23.273 7.494 10.749 {R1 thr 135} 23.853 7.509 11.199 {R2 thr a 135}P 22.118 6.378 8.559 {R2 thr 135} 22.863 6.37 8.677 {R2 thr 135} 23.581 6.434 8.901 {R2 thr 135} 24.274 6.58 9.216 {R2 thr 135} 24.948 6.823 9.603 {R1 cys a 136}P 23.853 7.509 11.199 {R1 cys 136} 24.458 7.536 11.63 {R1 cys 136} 25.099 7.561 12.042 {R1 cys 136} 25.762 7.599 12.458 {R1 cys 136} 26.426 7.676 12.91 {R2 cys a 136}P 24.948 6.823 9.603 {R2 cys 136} 25.608 7.179 10.042 {R2 cys 136} 26.255 7.654 10.515 {R2 cys 136} 26.877 8.203 11.016 {R2 cys 136} 27.461 8.772 11.543 {R1 val a 137}P 26.426 7.676 12.91 {R1 val 137} 27.068 7.816 13.427 {R1 val 137} 27.673 8.034 14.028 {R1 val 137} 28.242 8.311 14.685 {R1 val 137} 28.784 8.62 15.354 {R2 val a 137}P 27.461 8.772 11.543 {R2 val 137} 27.991 9.305 12.091 {R2 val 137} 28.459 9.761 12.658 {R2 val 137} 28.884 10.154 13.247 {R2 val 137} 29.293 10.514 13.864 {R1 thr a 138}P 28.784 8.62 15.354 {R1 thr 138} 29.306 8.933 15.994 {R1 thr 138} 29.818 9.228 16.576 {R1 thr 138} 30.335 9.505 17.117 {R1 thr 138} 30.872 9.772 17.649 {R2 thr a 138}P 29.293 10.514 13.864 {R2 thr 138} 29.714 10.869 14.513 {R2 thr 138} 30.165 11.239 15.196 {R2 thr 138} 30.636 11.615 15.898 {R2 thr 138} 31.111 11.979 16.604 {R1 thr a 139}P 30.872 9.772 17.649 {R1 thr 139} 31.447 10.034 18.201 {R1 thr 139} 32.066 10.297 18.796 {R1 thr 139} 32.692 10.561 19.432 {R1 thr 139} 33.28 10.823 20.098 {R2 thr a 139}P 31.111 11.979 16.604 {R2 thr 139} 31.573 12.312 17.297 {R2 thr 139} 32.008 12.60 17.968 {R2 thr 139} 32.425 12.851 18.634 {R2 thr 139} 32.836 13.075 19.322 {R1 gly a 140}P 33.28 10.823 20.098 {R1 gly 140} 33.783 11.083 20.784 {R1 gly 140} 34.162 11.339 21.477 {R1 gly 140} 34.409 11.599 22.159 {R1 gly 140} 34.526 11.873 22.808 {R2 gly a 140}P 32.836 13.075 19.322 {R2 gly 140} 33.251 13.283 20.059 {R2 gly 140} 33.674 13.482 20.862 {R2 gly 140} 34.072 13.659 21.719 {R2 gly 140} 34.403 13.796 22.607 {R1 trp 141}P 34.526 11.873 22.808 {R1 trp 141} 34.511 12.17 23.405 {R1 trp 141} 34.37 12.49 23.94 {R1 trp 141} 34.124 12.801 24.442 {R1 trp 141} 33.799 13.063 24.954 {R2 trp 141}P 34.403 13.796 22.607 {R2 trp 141} 34.624 13.875 23.506 {R2 trp 141} 34.702 13.885 24.393 {R2 trp 141} 34.631 13.84 25.241 {R2 trp 141} 34.41 13.763 26.021 {R1 trp 141} 33.799 13.063 24.954 {R1 gly 142}P 34.104 13.413 25.488 {R1 gly 142} width4 33.731 13.454 26.112 {R1 gly 142} width4 33.275 13.432 26.717 {R1 gly 142} width4 32.772 13.328 27.295 {R1 gly 142} width4 32.263 13.12 27.831 {R1 leu 143}P 32.263 13.12 27.831 {R1 leu 143} width4 31.788 12.785 28.316 {R1 leu 143} width4 31.376 12.312 28.738 {R1 leu 143} width4 31.01 11.739 29.106 {R1 leu 143} width4 30.661 11.113 29.431 {R1 thr 144}P 30.661 11.113 29.431 {R1 thr 144} width4 30.301 10.481 29.722 {R1 thr 144} width4 29.907 9.894 29.992 {R1 thr 144} width4 29.473 9.408 30.261 {R1 thr 144} width4 29.001 9.08 30.549 {R1 arg 145}P 29.001 9.08 30.549 {R1 arg 145} width4 28.489 8.968 30.88 {R1 arg 145} width4 27.943 9.108 31.264 {R1 arg 145} width4 27.385 9.455 31.679 {R1 arg 145} width4 26.839 9.942 32.092 {R1 tyr 146}P 26.839 9.942 32.092 {R1 tyr 146} width4 26.333 10.501 32.472 {R1 tyr 146} width4 25.892 11.065 32.789 {R1 tyr 146} width4 25.543 11.56 33.029 {R1 tyr 146} width4 25.314 11.911 33.182 {R1 tyr 146}P 25.314 11.911 33.182 {R1 tyr 146} width4 25.231 12.045 33.235 @subgroup dominant {B-C conn} @dotlist {dots} color= bluetint master= {domain 2} {B-C conn} 25.194 12.62 34.23 {B-C conn} 25.959 13.461 35.301 {B-C conn} 26.733 13.692 36.369 {B-C conn} 27.795 14.15 36.907 {B-C conn} 29.325 14.303 37.672 {B-C conn} 30.482 13.938 38.704 {B-C conn} 31.696 13.079 39.508 {B-C conn} 33.226 12.084 39.279 {B-C conn} 34.231 11.48 38.397 @subgroup {chain C} dominant @ribbonlist {chain C bar2} color= pink master= {domain 2} {R1 leu a 155}P 38.48 8.207 25.915 {R2 leu a 155} 40.01 8.565 25.039 {R1 leu 155}P 38.08 8.345 25.227 {R2 leu 155} 39.626 8.294 24.376 {R1 leu 155}P 37.623 8.52 24.605 {R2 leu 155} 39.096 8.01 23.812 {R1 leu 155}P 37.125 8.696 24.037 {R2 leu 155} 38.446 7.717 23.339 {R1 leu 155}P 36.602 8.838 23.496 {R2 leu 155} 37.706 7.42 22.935 {R1 gln a 156}P 36.602 8.838 23.496 {R2 gln a 156} 37.706 7.42 22.935 {R1 gln 156}P 36.069 8.907 22.959 {R2 gln 156} 36.907 7.124 22.578 {R1 gln 156}P 35.535 8.874 22.404 {R2 gln 156} 36.079 6.836 22.25 {R1 gln 156}P 34.991 8.751 21.827 {R2 gln 156} 35.243 6.567 21.941 {R1 gln 156}P 34.421 8.558 21.228 {R2 gln 156} 34.42 6.331 21.642 {R1 gln a 157}P 34.421 8.558 21.228 {R2 gln a 157} 34.42 6.331 21.642 {R1 gln 157}P 33.812 8.316 20.607 {R2 gln 157} 33.629 6.139 21.345 {R1 gln 157}P 33.153 8.045 19.967 {R2 gln 157} 32.884 5.999 21.041 {R1 gln 157}P 32.455 7.767 19.335 {R2 gln 157} 32.174 5.886 20.713 {R1 gln 157}P 31.736 7.501 18.739 {R2 gln 157} 31.479 5.768 20.34 {R1 ala a 158}P 31.736 7.501 18.739 {R2 ala a 158} 31.479 5.768 20.34 {R1 ala 158}P 31.013 7.269 18.209 {R2 ala 158} 30.781 5.615 19.905 {R1 ala 158}P 30.298 7.085 17.764 {R2 ala 158} 30.065 5.409 19.398 {R1 ala 158}P 29.593 6.949 17.376 {R2 ala 158} 29.333 5.189 18.855 {R1 ala 158}P 28.897 6.852 17.007 {R2 ala 158} 28.591 5.006 18.325 {R1 ser a 159}P 28.897 6.852 17.007 {R2 ser a 159} 28.591 5.006 18.325 {R1 ser 159}P 28.208 6.788 16.619 {R2 ser 159} 27.843 4.912 17.852 {R1 ser 159}P 27.524 6.754 16.185 {R2 ser 159} 27.094 4.947 17.471 {R1 ser 159}P 26.845 6.755 15.725 {R2 ser 159} 26.337 5.095 17.158 {R1 ser 159}P 26.174 6.80 15.27 {R2 ser 159} 25.563 5.326 16.875 {R1 leu a 160}P 26.174 6.80 15.27 {R2 leu a 160} 25.563 5.326 16.875 {R1 leu 160}P 25.51 6.897 14.85 {R2 leu 160} 24.762 5.611 16.584 {R1 leu 160}P 24.856 7.051 14.484 {R2 leu 160} 23.935 5.927 16.257 {R1 leu 160}P 24.21 7.254 14.149 {R2 leu 160} 23.119 6.284 15.893 {R1 leu 160}P 23.575 7.496 13.809 {R2 leu 160} 22.36 6.695 15.503 {R1 pro a 161}P 23.575 7.496 13.809 {R2 pro a 161} 22.36 6.695 15.503 {R1 pro 161}P 22.95 7.765 13.428 {R2 pro 161} 21.705 7.176 15.095 {R1 pro 161}P 22.334 8.052 12.987 {R2 pro 161} 21.185 7.738 14.68 {R1 pro 161}P 21.72 8.359 12.527 {R2 pro 161} 20.77 8.367 14.267 {R1 pro 161}P 21.098 8.686 12.105 {R2 pro 161} 20.418 9.047 13.867 {R1 leu a 162}P 21.098 8.686 12.105 {R2 leu a 162} 20.418 9.047 13.867 {R1 leu 162}P 20.46 9.036 11.78 {R2 leu 162} 20.085 9.759 13.493 {R1 leu 162}P 19.795 9.412 11.59 {R2 leu 162} 19.732 10.486 13.151 {R1 leu 162}P 19.104 9.816 11.509 {R2 leu 162} 19.346 11.199 12.833 {R1 leu 162}P 18.385 10.25 11.49 {R2 leu 162} 18.919 11.87 12.527 {R1 leu a 163}P 18.385 10.25 11.49 {R2 leu a 163} 18.919 11.87 12.527 {R1 leu 163}P 17.638 10.718 11.489 {R2 leu 163} 18.445 12.469 12.223 {R1 leu 163}P 16.869 11.222 11.469 {R2 leu 163} 17.92 12.981 11.912 {R1 leu 163}P 16.116 11.765 11.44 {R2 leu 163} 17.36 13.438 11.60 {R1 leu 163}P 15.426 12.353 11.418 {R2 leu 163} 16.785 13.883 11.295 @ribbonlist {barrel 2} color= pink master= {domain 2} {R1 met a 180}P 20.289 24.687 11.666 {R2 met a 180} 19.101 24.142 10.808 {R1 met 180}P 20.656 23.943 12.186 {R2 met 180} 19.143 23.626 11.318 {R1 met 180}P 20.866 23.138 12.664 {R2 met 180} 19.164 22.998 11.672 {R1 met 180}P 20.947 22.299 13.088 {R2 met 180} 19.166 22.277 11.897 {R1 met 180}P 20.942 21.452 13.458 {R2 met 180} 19.141 21.487 12.06 {R1 ile a 181}P 20.942 21.452 13.458 {R2 ile a 181} 19.141 21.487 12.06 {R1 ile 181}P 20.891 20.623 13.773 {R2 ile 181} 19.086 20.651 12.225 {R1 ile 181}P 20.829 19.831 14.04 {R2 ile 181} 19.001 19.79 12.444 {R1 ile 181}P 20.761 19.07 14.287 {R2 ile 181} 18.912 18.92 12.708 {R1 ile 181}P 20.683 18.325 14.548 {R2 ile 181} 18.854 18.054 12.994 {R1 cys a 182}P 20.683 18.325 14.548 {R2 cys a 182} 18.854 18.054 12.994 {R1 cys 182}P 20.592 17.584 14.859 {R2 cys 182} 18.861 17.206 13.278 {R1 cys 182}P 20.488 16.835 15.242 {R2 cys 182} 18.955 16.385 13.546 {R1 cys 182}P 20.384 16.082 15.67 {R2 cys 182} 19.117 15.579 13.809 {R1 cys 182}P 20.295 15.332 16.107 {R2 cys 182} 19.318 14.774 14.089 {R1 ala a 183}P 20.295 15.332 16.107 {R2 ala a 183} 19.318 14.774 14.089 {R1 ala 183}P 20.238 14.591 16.515 {R2 ala 183} 19.53 13.954 14.405 {R1 ala 183}P 20.221 13.866 16.867 {R2 ala 183} 19.721 13.111 14.774 {R1 ala 183}P 20.218 13.163 17.191 {R2 ala 183} 19.853 12.276 15.197 {R1 ala 183}P 20.197 12.488 17.526 {R2 ala 183} 19.888 11.487 15.67 {R1 gly a 184}P 20.197 12.488 17.526 {R2 gly a 184} 19.888 11.487 15.67 {R1 gly 184}P 20.126 11.848 17.909 {R2 gly 184} 19.785 10.783 16.19 {R1 gly 184}P 19.981 11.246 18.364 {R2 gly 184} 19.523 10.19 16.75 {R1 gly 184}P 19.783 10.674 18.847 {R2 gly 184} 19.144 9.682 17.33 {R1 gly 184}P 19.563 10.12 19.298 {R2 gly 184} 18.706 9.219 17.908 {R1 ala a 185}P 19.563 10.12 19.298 {R2 ala a 185} 18.706 9.219 17.908 {R1 ala 185}P 19.352 9.573 19.656 {R2 ala 185} 18.269 8.762 18.462 {R1 ala 185}P 19.176 9.024 19.883 {R2 ala 185} 17.889 8.277 18.971 {R1 ala 185}P 19.041 8.477 20.022 {R2 ala 185} 17.609 7.753 19.428 {R1 ala 185}P 18.946 7.94 20.14 {R2 ala 185} 17.473 7.182 19.828 {R1 ser a 186}P 18.946 7.94 20.14 {R2 ser a 186} 17.473 7.182 19.828 {R1 ser 186}P 18.893 7.419 20.30 {R2 ser 186} 17.521 6.56 20.165 {R1 ser 186}P 18.884 6.925 20.551 {R2 ser 186} 17.781 5.895 20.443 {R1 ser 186}P 18.938 6.49 20.867 {R2 ser 186} 18.217 5.254 20.699 {R1 ser 186}P 19.076 6.147 21.207 {R2 ser 186} 18.779 4.719 20.978 @ribbonlist {barrel 2} color= pink master= {domain 2} {R1 gly a 196}P 30.317 20.498 20.971 {R2 gly a 196} 31.383 20.611 21.949 {R1 gly 196}P 30.357 20.815 20.625 {R2 gly 196} 31.654 20.915 21.204 {R1 gly 196}P 30.574 20.77 20.317 {R2 gly 196} 31.929 20.941 20.423 {R1 gly 196}P 30.90 20.438 20.01 {R2 gly 196} 32.197 20.711 19.645 {R1 gly 196}P 31.245 19.938 19.66 {R2 gly 196} 32.446 20.273 18.909 {R1 gly a 197}P 31.245 19.938 19.66 {R2 gly a 197} 32.446 20.273 18.909 {R1 gly 197}P 31.517 19.391 19.222 {R2 gly 197} 32.667 19.674 18.258 {R1 gly 197}P 31.646 18.891 18.664 {R2 gly 197} 32.845 18.963 17.722 {R1 gly 197}P 31.642 18.444 18.006 {R2 gly 197} 32.941 18.195 17.28 {R1 gly 197}P 31.535 18.027 17.278 {R2 gly 197} 32.912 17.423 16.901 {R1 pro a 198}P 31.535 18.027 17.278 {R2 pro a 198} 32.912 17.423 16.901 {R1 pro 198}P 31.355 17.62 16.51 {R2 pro 198} 32.715 16.704 16.553 {R1 pro 198}P 31.127 17.209 15.731 {R2 pro 198} 32.327 16.078 16.208 {R1 pro 198}P 30.868 16.792 14.965 {R2 pro 198} 31.817 15.53 15.843 {R1 pro 198}P 30.589 16.373 14.233 {R2 pro 198} 31.272 15.028 15.442 {R1 leu a 199}P 30.589 16.373 14.233 {R2 leu a 199} 31.272 15.028 15.442 {R1 leu 199}P 30.303 15.958 13.559 {R2 leu 199} 30.781 14.544 14.987 {R1 leu 199}P 30.023 15.547 12.952 {R2 leu 199} 30.413 14.052 14.465 {R1 leu 199}P 29.774 15.136 12.385 {R2 leu 199} 30.147 13.555 13.886 {R1 leu 199}P 29.58 14.716 11.816 {R2 leu 199} 29.945 13.058 13.266 {R1 val a 200}P 29.58 14.716 11.816 {R2 val a 200} 29.945 13.058 13.266 {R1 val 200}P 29.467 14.281 11.206 {R2 val 200} 29.766 12.568 12.619 {R1 val 200}P 29.45 13.825 10.527 {R2 val 200} 29.58 12.09 11.957 {R1 val 200}P 29.506 13.352 9.803 {R2 val 200} 29.394 11.619 11.278 {R1 val 200}P 29.601 12.869 9.071 {R2 val 200} 29.226 11.147 10.575 {R1 cys a 201}P 29.601 12.869 9.071 {R2 cys a 201} 29.226 11.147 10.575 {R1 cys 201}P 29.703 12.384 8.368 {R2 cys 201} 29.095 10.667 9.839 {R1 cys 201}P 29.788 11.905 7.719 {R2 cys 201} 29.011 10.18 9.068 {R1 cys 201}P 29.87 11.446 7.108 {R2 cys 201} 28.968 9.717 8.265 {R1 cys 201}P 29.972 11.025 6.508 {R2 cys 201} 28.952 9.316 7.438 {R1 lys a 202}P 29.972 11.025 6.508 {R2 lys a 202} 28.952 9.316 7.438 {R1 lys 202}P 30.118 10.66 5.895 {R2 lys 202} 28.949 9.015 6.594 {R1 lys 202}P 30.322 10.363 5.244 {R2 lys 202} 28.95 8.842 5.736 {R1 lys 202}P 30.56 10.143 4.545 {R2 lys 202} 28.957 8.777 4.853 {R1 lys 202}P 30.797 10.005 3.793 {R2 lys 202} 28.978 8.79 3.928 @ribbonlist {barrel 2} color= pink master= {domain 2} {R1 thr a 208}P 34.251 12.396 5.571 {R2 thr a 208} 32.266 11.744 5.598 {R1 thr 208}P 33.872 13.146 5.821 {R2 thr 208} 31.949 12.26 6.058 {R1 thr 208}P 33.466 13.897 6.07 {R2 thr 208} 31.656 12.827 6.478 {R1 thr 208}P 33.025 14.623 6.325 {R2 thr 208} 31.377 13.417 6.874 {R1 thr 208}P 32.535 15.30 6.588 {R2 thr 208} 31.09 13.994 7.261 {R1 leu a 209}P 32.535 15.30 6.588 {R2 leu a 209} 31.09 13.994 7.261 {R1 leu 209}P 31.981 15.899 6.861 {R2 leu 209} 30.774 14.52 7.655 {R1 leu 209}P 31.355 16.401 7.147 {R2 leu 209} 30.416 14.967 8.069 {R1 leu 209}P 30.674 16.813 7.457 {R2 leu 209} 30.027 15.342 8.495 {R1 leu 209}P 29.96 17.151 7.805 {R2 leu 209} 29.625 15.661 8.923 {R1 val a 210}P 29.96 17.151 7.805 {R2 val a 210} 29.625 15.661 8.923 {R1 val 210}P 29.238 17.431 8.203 {R2 val 210} 29.227 15.942 9.343 {R1 val 210}P 28.534 17.667 8.663 {R2 val 210} 28.853 16.20 9.749 {R1 val 210}P 27.891 17.883 9.193 {R2 val 210} 28.531 16.453 10.159 {R1 val 210}P 27.358 18.10 9.80 {R2 val 210} 28.288 16.719 10.598 {R1 gly a 211}P 27.358 18.10 9.80 {R2 gly a 211} 28.288 16.719 10.598 {R1 gly 211}P 26.982 18.341 10.49 {R2 gly 211} 28.154 17.017 11.089 {R1 gly 211}P 26.794 18.62 11.264 {R2 gly 211} 28.144 17.354 11.651 {R1 gly 211}P 26.756 18.918 12.094 {R2 gly 211} 28.23 17.708 12.281 {R1 gly 211}P 26.814 19.207 12.947 {R2 gly 211} 28.368 18.045 12.973 {R1 ile a 212}P 26.814 19.207 12.947 {R2 ile a 212} 28.368 18.045 12.973 {R1 ile 212}P 26.912 19.458 13.789 {R2 ile 212} 28.517 18.333 13.719 {R1 ile 212}P 27.002 19.649 14.594 {R2 ile 212} 28.637 18.552 14.508 {R1 ile 212}P 27.052 19.782 15.356 {R2 ile 212} 28.703 18.736 15.316 {R1 ile 212}P 27.035 19.864 16.076 {R2 ile 212} 28.692 18.931 16.112 {R1 val a 213}P 27.035 19.864 16.076 {R2 val a 213} 28.692 18.931 16.112 {R1 val 213}P 26.925 19.902 16.755 {R2 val 213} 28.581 19.182 16.87 {R1 val 213}P 26.705 19.906 17.394 {R2 val 213} 28.355 19.522 17.567 {R1 val 213}P 26.39 19.901 17.99 {R2 val 213} 28.021 19.926 18.215 {R1 val 213}P 26.003 19.914 18.54 {R2 val 213} 27.596 20.351 18.832 {R1 ser a 214}P 26.003 19.914 18.54 {R2 ser a 214} 27.596 20.351 18.832 {R1 ser 214}P 25.569 19.974 19.04 {R2 ser 214} 27.093 20.758 19.436 {R1 ser 214}P 25.108 20.093 19.491 {R2 ser 214} 26.528 21.106 20.042 {R1 ser 214}P 24.634 20.225 19.907 {R2 ser 214} 25.911 21.363 20.649 {R1 ser 214}P 24.156 20.312 20.304 {R2 ser 214} 25.252 21.495 21.253 {R1 trp a 215}P 24.156 20.312 20.304 {R2 trp a 215} 25.252 21.495 21.253 {R1 trp 215}P 23.683 20.293 20.701 {R2 trp 215} 24.561 21.469 21.848 {R1 trp 215}P 23.222 20.123 21.112 {R2 trp 215} 23.85 21.265 22.431 {R1 trp 215}P 22.768 19.814 21.547 {R2 trp 215} 23.141 20.92 22.996 {R1 trp 215}P 22.312 19.39 22.013 {R2 trp 215} 22.458 20.482 23.539 {R1 gly a 216}P 22.312 19.39 22.013 {R2 gly a 216} 22.458 20.482 23.539 {R1 gly 216}P 21.845 18.876 22.517 {R2 gly 216} 21.826 19.998 24.053 {R1 gly 216}P 21.369 18.306 23.066 {R2 gly 216} 21.261 19.514 24.539 {R1 gly 216}P 20.918 17.74 23.665 {R2 gly 216} 20.759 19.055 25.014 {R1 gly 216}P 20.539 17.246 24.321 {R2 gly 216} 20.307 18.642 25.50 @ribbonlist {barrel 2} color= pink master= {domain 2} {R1 thr a 224}P 17.069 9.45 24.517 {R2 thr a 224} 15.989 9.083 23.334 {R1 thr 224}P 17.056 10.06 24.141 {R2 thr 224} 15.635 9.90 23.086 {R1 thr 224}P 17.155 10.634 23.708 {R2 thr 224} 15.503 10.706 22.753 {R1 thr 224}P 17.357 11.163 23.224 {R2 thr 224} 15.581 11.475 22.369 {R1 thr 224}P 17.649 11.647 22.699 {R2 thr 224} 15.843 12.20 21.981 {R1 pro a 225}P 17.649 11.647 22.699 {R2 pro a 225} 15.843 12.20 21.981 {R1 pro 225}P 18.016 12.09 22.143 {R2 pro 225} 16.259 12.875 21.64 {R1 pro 225}P 18.44 12.499 21.572 {R2 pro 225} 16.801 13.496 21.382 {R1 pro 225}P 18.885 12.901 21.004 {R2 pro 225} 17.431 14.078 21.19 {R1 pro 225}P 19.31 13.332 20.465 {R2 pro 225} 18.11 14.641 21.038 {R1 gly a 226}P 19.31 13.332 20.465 {R2 gly a 226} 18.11 14.641 21.038 {R1 gly 226}P 19.675 13.825 19.978 {R2 gly 226} 18.80 15.203 20.897 {R1 gly 226}P 19.952 14.402 19.556 {R2 gly 226} 19.468 15.779 20.74 {R1 gly 226}P 20.163 15.043 19.172 {R2 gly 226} 20.101 16.358 20.55 {R1 gly 226}P 20.345 15.715 18.791 {R2 gly 226} 20.691 16.926 20.31 {R1 val a 227}P 20.345 15.715 18.791 {R2 val a 227} 20.691 16.926 20.31 {R1 val 227}P 20.533 16.386 18.375 {R2 val 227} 21.231 17.468 20.005 {R1 val 227}P 20.755 17.03 17.901 {R2 val 227} 21.718 17.972 19.622 {R1 val 227}P 21.017 17.647 17.387 {R2 val 227} 22.171 18.445 19.165 {R1 val 227}P 21.313 18.246 16.864 {R2 val 227} 22.611 18.895 18.64 {R1 tyr a 228}P 21.313 18.246 16.864 {R2 tyr a 228} 22.611 18.895 18.64 {R1 tyr 228}P 21.642 18.832 16.363 {R2 tyr 228} 23.061 19.332 18.054 {R1 tyr 228}P 21.996 19.411 15.906 {R2 tyr 228} 23.532 19.761 17.415 {R1 tyr 228}P 22.348 19.978 15.473 {R2 tyr 228} 23.989 20.166 16.732 {R1 tyr 228}P 22.668 20.525 15.034 {R2 tyr 228} 24.386 20.532 16.014 {R1 ala a 229}P 22.668 20.525 15.034 {R2 ala a 229} 24.386 20.532 16.014 {R1 ala 229}P 22.926 21.047 14.56 {R2 ala 229} 24.675 20.838 15.269 {R1 ala 229}P 23.103 21.533 14.029 {R2 ala 229} 24.828 21.071 14.508 {R1 ala 229}P 23.235 21.966 13.442 {R2 ala 229} 24.882 21.231 13.746 {R1 ala 229}P 23.367 22.326 12.806 {R2 ala 229} 24.892 21.321 12.996 @vectorlist {ribbon} color= yellowtint master= {domain 2} {R1 ala 149}P 33.993 10.508 37.788 {R1 ala 149} width4 33.855 10.451 37.709 {R1 ala 149} width4 33.533 10.325 37.474 {R1 ala 149} width4 33.164 10.195 37.086 {R1 asn a 150}P 33.164 10.195 37.086 {R1 asn 150} width4 32.885 10.127 36.548 {R1 asn 150} width4 32.804 10.167 35.873 {R1 asn 150} width4 32.911 10.282 35.106 {R1 asn 150} width4 33.165 10.419 34.304 {R1 thr a 151}P 33.165 10.419 34.304 {R1 thr 151} width4 33.529 10.525 33.522 {R1 thr 151} width4 33.967 10.557 32.807 {R1 thr 151} width4 34.467 10.517 32.166 {R1 thr 151} width4 35.021 10.416 31.598 {R1 pro a 152}P 35.021 10.416 31.598 {R1 pro 152} width4 35.622 10.267 31.104 {R1 pro 152} width4 36.259 10.082 30.676 {R1 pro 152} width4 36.91 9.873 30.294 {R1 pro 152} width4 37.548 9.651 29.931 {R1 asp a 153}P 37.548 9.651 29.931 {R1 asp 153} width4 38.148 9.43 29.56 {R1 asp 153} width4 38.682 9.219 29.159 {R1 asp 153} width4 39.126 9.025 28.709 {R1 asp 153} width4 39.452 8.85 28.195 {R1 arg a 154}P 39.452 8.85 28.195 {R1 arg 154} width4 39.634 8.698 27.602 {R1 arg 154} width4 39.652 8.572 26.925 {R1 arg 154} width4 39.517 8.469 26.201 {R1 arg 154} width4 39.245 8.386 25.477 {R1 leu a 155}P 38.48 8.207 25.915 {R2 leu a 155} 40.01 8.565 25.039 {R1 leu a 155}P 38.48 8.207 25.915 {R1 leu 155} 38.08 8.345 25.227 {R1 leu 155} 37.623 8.52 24.605 {R1 leu 155} 37.125 8.696 24.037 {R1 leu 155} 36.602 8.838 23.496 {R2 leu a 155}P 40.01 8.565 25.039 {R2 leu 155} 39.626 8.294 24.376 {R2 leu 155} 39.096 8.01 23.812 {R2 leu 155} 38.446 7.717 23.339 {R2 leu 155} 37.706 7.42 22.935 {R1 gln a 156}P 36.602 8.838 23.496 {R1 gln 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20.14 {R1 ser 186} 18.893 7.419 20.30 {R1 ser 186} 18.884 6.925 20.551 {R1 ser 186} 18.938 6.49 20.867 {R1 ser 186} 19.076 6.147 21.207 {R2 ser a 186}P 17.473 7.182 19.828 {R2 ser 186} 17.521 6.56 20.165 {R2 ser 186} 17.781 5.895 20.443 {R2 ser 186} 18.217 5.254 20.699 {R2 ser 186} 18.779 4.719 20.978 {R1 ser 186} 19.076 6.147 21.207 {R1 gly a 187}P 18.928 5.433 21.093 {R1 gly 187} width4 19.368 5.153 21.427 {R1 gly 187} width4 19.882 5.077 21.782 {R1 gly 187} width4 20.44 5.195 22.135 {R1 gly 187} width4 21.013 5.483 22.458 {R1 val a 188}P 21.013 5.483 22.458 {R1 val 188} width4 21.57 5.918 22.722 {R1 val 188} width4 22.087 6.477 22.907 {R1 val 188} width4 22.564 7.132 23.026 {R1 val 188} width4 23.011 7.855 23.101 {R1 ser a 189}P 23.011 7.855 23.101 {R1 ser 189} width4 23.435 8.62 23.152 {R1 ser 189} width4 23.843 9.399 23.202 {R1 ser 189} width4 24.241 10.169 23.273 {R1 ser 189} width4 24.633 10.911 23.391 {R1 ser a 190}P 24.633 10.911 23.391 {R1 ser 190} width4 25.024 11.601 23.578 {R1 ser 190} width4 25.416 12.226 23.853 {R1 ser 190} width4 25.805 12.798 24.214 {R1 ser 190} width4 26.184 13.333 24.653 {R1 cys a 191}P 26.184 13.333 24.653 {R1 cys 191} width4 26.547 13.851 25.161 {R1 cys 191} width4 26.893 14.368 25.726 {R1 cys 191} width4 27.254 14.891 26.315 {R1 cys 191} width4 27.665 15.424 26.887 {R1 met a 192}P 27.665 15.424 26.887 {R1 met 192} width4 28.164 15.974 27.406 {R1 met 192} width4 28.77 16.532 27.829 {R1 met 192} width4 29.432 17.05 28.111 {R1 met 192} width4 30.08 17.466 28.202 {R1 gly a 193}P 30.08 17.466 28.202 {R1 gly 193} width4 30.646 17.717 28.055 {R1 gly 193} width4 31.073 17.77 27.643 {R1 gly 193} width4 31.356 17.692 27.034 {R1 gly 193} width4 31.503 17.578 26.317 {R1 asp a 194}P 31.503 17.578 26.317 {R1 asp 194} width4 31.524 17.522 25.582 {R1 asp 194} width4 31.431 17.602 24.90 {R1 asp 194} width4 31.267 17.832 24.274 {R1 asp 194} width4 31.078 18.208 23.686 {R1 ser a 195}P 31.078 18.208 23.686 {R1 ser 195} width4 30.912 18.725 23.12 {R1 ser 195} width4 30.811 19.361 22.562 {R1 ser 195} width4 30.787 20.012 22.009 {R1 ser 195} width4 30.85 20.554 21.46 {R1 gly a 196}P 30.317 20.498 20.971 {R2 gly a 196} 31.383 20.611 21.949 {R1 gly a 196}P 30.317 20.498 20.971 {R1 gly 196} 30.357 20.815 20.625 {R1 gly 196} 30.574 20.77 20.317 {R1 gly 196} 30.90 20.438 20.01 {R1 gly 196} 31.245 19.938 19.66 {R2 gly a 196}P 31.383 20.611 21.949 {R2 gly 196} 31.654 20.915 21.204 {R2 gly 196} 31.929 20.941 20.423 {R2 gly 196} 32.197 20.711 19.645 {R2 gly 196} 32.446 20.273 18.909 {R1 gly a 197}P 31.245 19.938 19.66 {R1 gly 197} 31.517 19.391 19.222 {R1 gly 197} 31.646 18.891 18.664 {R1 gly 197} 31.642 18.444 18.006 {R1 gly 197} 31.535 18.027 17.278 {R2 gly a 197}P 32.446 20.273 18.909 {R2 gly 197} 32.667 19.674 18.258 {R2 gly 197} 32.845 18.963 17.722 {R2 gly 197} 32.941 18.195 17.28 {R2 gly 197} 32.912 17.423 16.901 {R1 pro a 198}P 31.535 18.027 17.278 {R1 pro 198} 31.355 17.62 16.51 {R1 pro 198} 31.127 17.209 15.731 {R1 pro 198} 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11.905 7.719 {R1 cys 201} 29.87 11.446 7.108 {R1 cys 201} 29.972 11.025 6.508 {R2 cys a 201}P 29.226 11.147 10.575 {R2 cys 201} 29.095 10.667 9.839 {R2 cys 201} 29.011 10.18 9.068 {R2 cys 201} 28.968 9.717 8.265 {R2 cys 201} 28.952 9.316 7.438 {R1 lys a 202}P 29.972 11.025 6.508 {R1 lys 202} 30.118 10.66 5.895 {R1 lys 202} 30.322 10.363 5.244 {R1 lys 202} 30.56 10.143 4.545 {R1 lys 202} 30.797 10.005 3.793 {R2 lys a 202}P 28.952 9.316 7.438 {R2 lys 202} 28.949 9.015 6.594 {R2 lys 202} 28.95 8.842 5.736 {R2 lys 202} 28.957 8.777 4.853 {R2 lys 202} 28.978 8.79 3.928 {R1 lys 202} 30.797 10.005 3.793 {R1 lys a 203}P 29.887 9.397 3.861 {R1 lys 203} width4 30.009 9.401 2.964 {R1 lys 203} width4 30.119 9.449 2.013 {R1 lys 203} width4 30.248 9.48 1.067 {R1 lys 203} width4 30.438 9.423 0.203 {R1 asn a 204}P 30.438 9.423 0.203 {R1 asn 204} width4 30.729 9.206 -0.505 {R1 asn 204} width4 31.146 8.793 -0.994 {R1 asn 204} width4 31.653 8.279 -1.247 {R1 asn 204} width4 32.196 7.79 -1.26 {R1 gly a 205}P 32.196 7.79 -1.26 {R1 gly 205} width4 32.723 7.457 -1.028 {R1 gly 205} width4 33.188 7.374 -0.56 {R1 gly 205} width4 33.578 7.516 0.084 {R1 gly 205} width4 33.888 7.822 0.832 {R1 ala a 206}P 33.888 7.822 0.832 {R1 ala 206} width4 34.112 8.236 1.611 {R1 ala 206} width4 34.246 8.706 2.359 {R1 ala 206} width4 34.288 9.214 3.057 {R1 ala 206} width4 34.24 9.751 3.695 {R1 trp a 207}P 34.24 9.751 3.695 {R1 trp 207} width4 34.103 10.309 4.266 {R1 trp 207} width4 33.879 10.878 4.763 {R1 trp 207} width4 33.59 11.464 5.198 {R1 trp 207} width4 33.259 12.07 5.585 {R1 thr a 208}P 34.251 12.396 5.571 {R2 thr a 208} 32.266 11.744 5.598 {R1 thr a 208}P 34.251 12.396 5.571 {R1 thr 208} 33.872 13.146 5.821 {R1 thr 208} 33.466 13.897 6.07 {R1 thr 208} 33.025 14.623 6.325 {R1 thr 208} 32.535 15.30 6.588 {R2 thr a 208}P 32.266 11.744 5.598 {R2 thr 208} 31.949 12.26 6.058 {R2 thr 208} 31.656 12.827 6.478 {R2 thr 208} 31.377 13.417 6.874 {R2 thr 208} 31.09 13.994 7.261 {R1 leu a 209}P 32.535 15.30 6.588 {R1 leu 209} 31.981 15.899 6.861 {R1 leu 209} 31.355 16.401 7.147 {R1 leu 209} 30.674 16.813 7.457 {R1 leu 209} 29.96 17.151 7.805 {R2 leu a 209}P 31.09 13.994 7.261 {R2 leu 209} 30.774 14.52 7.655 {R2 leu 209} 30.416 14.967 8.069 {R2 leu 209} 30.027 15.342 8.495 {R2 leu 209} 29.625 15.661 8.923 {R1 val a 210}P 29.96 17.151 7.805 {R1 val 210} 29.238 17.431 8.203 {R1 val 210} 28.534 17.667 8.663 {R1 val 210} 27.891 17.883 9.193 {R1 val 210} 27.358 18.10 9.80 {R2 val a 210}P 29.625 15.661 8.923 {R2 val 210} 29.227 15.942 9.343 {R2 val 210} 28.853 16.20 9.749 {R2 val 210} 28.531 16.453 10.159 {R2 val 210} 28.288 16.719 10.598 {R1 gly a 211}P 27.358 18.10 9.80 {R1 gly 211} 26.982 18.341 10.49 {R1 gly 211} 26.794 18.62 11.264 {R1 gly 211} 26.756 18.918 12.094 {R1 gly 211} 26.814 19.207 12.947 {R2 gly a 211}P 28.288 16.719 10.598 {R2 gly 211} 28.154 17.017 11.089 {R2 gly 211} 28.144 17.354 11.651 {R2 gly 211} 28.23 17.708 12.281 {R2 gly 211} 28.368 18.045 12.973 {R1 ile a 212}P 26.814 19.207 12.947 {R1 ile 212} 26.912 19.458 13.789 {R1 ile 212} 27.002 19.649 14.594 {R1 ile 212} 27.052 19.782 15.356 {R1 ile 212} 27.035 19.864 16.076 {R2 ile a 212}P 28.368 18.045 12.973 {R2 ile 212} 28.517 18.333 13.719 {R2 ile 212} 28.637 18.552 14.508 {R2 ile 212} 28.703 18.736 15.316 {R2 ile 212} 28.692 18.931 16.112 {R1 val a 213}P 27.035 19.864 16.076 {R1 val 213} 26.925 19.902 16.755 {R1 val 213} 26.705 19.906 17.394 {R1 val 213} 26.39 19.901 17.99 {R1 val 213} 26.003 19.914 18.54 {R2 val a 213}P 28.692 18.931 16.112 {R2 val 213} 28.581 19.182 16.87 {R2 val 213} 28.355 19.522 17.567 {R2 val 213} 28.021 19.926 18.215 {R2 val 213} 27.596 20.351 18.832 {R1 ser a 214}P 26.003 19.914 18.54 {R1 ser 214} 25.569 19.974 19.04 {R1 ser 214} 25.108 20.093 19.491 {R1 ser 214} 24.634 20.225 19.907 {R1 ser 214} 24.156 20.312 20.304 {R2 ser a 214}P 27.596 20.351 18.832 {R2 ser 214} 27.093 20.758 19.436 {R2 ser 214} 26.528 21.106 20.042 {R2 ser 214} 25.911 21.363 20.649 {R2 ser 214} 25.252 21.495 21.253 {R1 trp a 215}P 24.156 20.312 20.304 {R1 trp 215} 23.683 20.293 20.701 {R1 trp 215} 23.222 20.123 21.112 {R1 trp 215} 22.768 19.814 21.547 {R1 trp 215} 22.312 19.39 22.013 {R2 trp a 215}P 25.252 21.495 21.253 {R2 trp 215} 24.561 21.469 21.848 {R2 trp 215} 23.85 21.265 22.431 {R2 trp 215} 23.141 20.92 22.996 {R2 trp 215} 22.458 20.482 23.539 {R1 gly a 216}P 22.312 19.39 22.013 {R1 gly 216} 21.845 18.876 22.517 {R1 gly 216} 21.369 18.306 23.066 {R1 gly 216} 20.918 17.74 23.665 {R1 gly 216} 20.539 17.246 24.321 {R2 gly a 216}P 22.458 20.482 23.539 {R2 gly 216} 21.826 19.998 24.053 {R2 gly 216} 21.261 19.514 24.539 {R2 gly 216} 20.759 19.055 25.014 {R2 gly 216} 20.307 18.642 25.50 {R1 gly 216} 20.539 17.246 24.321 {R1 ser a 217}P 20.423 17.944 24.911 {R1 ser 217} width4 20.084 17.594 25.53 {R1 ser 217} width4 19.835 17.378 26.208 {R1 ser 217} width4 19.671 17.27 26.941 {R1 ser 217} width4 19.583 17.233 27.721 {R1 ser a 218}P 19.583 17.233 27.721 {R1 ser 218} width4 19.561 17.227 28.543 {R1 ser 218} width4 19.599 17.212 29.382 {R1 ser 218} width4 19.691 17.143 30.156 {R1 ser 218} width4 19.833 16.971 30.766 {R1 thr a 219}P 19.833 16.971 30.766 {R1 thr 219} width4 20.019 16.649 31.114 {R1 thr 219} width4 20.24 16.15 31.135 {R1 thr 219} width4 20.462 15.522 30.892 {R1 thr 219} width4 20.645 14.835 30.482 {R1 cys a 220}P 20.645 14.835 30.482 {R1 cys 220} width4 20.75 14.155 30.003 {R1 cys 220} width4 20.746 13.536 29.534 {R1 cys 220} width4 20.647 12.965 29.089 {R1 cys 220} width4 20.476 12.414 28.663 {R1 ser a 221}P 20.476 12.414 28.663 {R1 ser 221} width4 20.256 11.857 28.254 {R1 ser 221} width4 20.006 11.271 27.856 {R1 ser 221} width4 19.731 10.66 27.457 {R1 ser 221} width4 19.435 10.035 27.045 {R1 thr a 222}P 19.435 10.035 27.045 {R1 thr 222} width4 19.117 9.406 26.605 {R1 thr 222} width4 18.78 8.796 26.133 {R1 thr 222} width4 18.423 8.278 25.653 {R1 thr 222} width4 18.045 7.94 25.198 {R1 ser a 223}P 18.045 7.94 25.198 {R1 ser 223} width4 17.645 7.865 24.799 {R1 ser 223} width4 17.229 8.112 24.476 {R1 ser 223} width4 16.841 8.611 24.199 {R1 ser 223} width4 16.529 9.266 23.926 {R1 thr a 224}P 17.069 9.45 24.517 {R2 thr a 224} 15.989 9.083 23.334 {R1 thr a 224}P 17.069 9.45 24.517 {R1 thr 224} 17.056 10.06 24.141 {R1 thr 224} 17.155 10.634 23.708 {R1 thr 224} 17.357 11.163 23.224 {R1 thr 224} 17.649 11.647 22.699 {R2 thr a 224}P 15.989 9.083 23.334 {R2 thr 224} 15.635 9.90 23.086 {R2 thr 224} 15.503 10.706 22.753 {R2 thr 224} 15.581 11.475 22.369 {R2 thr 224} 15.843 12.20 21.981 {R1 pro a 225}P 17.649 11.647 22.699 {R1 pro 225} 18.016 12.09 22.143 {R1 pro 225} 18.44 12.499 21.572 {R1 pro 225} 18.885 12.901 21.004 {R1 pro 225} 19.31 13.332 20.465 {R2 pro a 225}P 15.843 12.20 21.981 {R2 pro 225} 16.259 12.875 21.64 {R2 pro 225} 16.801 13.496 21.382 {R2 pro 225} 17.431 14.078 21.19 {R2 pro 225} 18.11 14.641 21.038 {R1 gly a 226}P 19.31 13.332 20.465 {R1 gly 226} 19.675 13.825 19.978 {R1 gly 226} 19.952 14.402 19.556 {R1 gly 226} 20.163 15.043 19.172 {R1 gly 226} 20.345 15.715 18.791 {R2 gly a 226}P 18.11 14.641 21.038 {R2 gly 226} 18.80 15.203 20.897 {R2 gly 226} 19.468 15.779 20.74 {R2 gly 226} 20.101 16.358 20.55 {R2 gly 226} 20.691 16.926 20.31 {R1 val a 227}P 20.345 15.715 18.791 {R1 val 227} 20.533 16.386 18.375 {R1 val 227} 20.755 17.03 17.901 {R1 val 227} 21.017 17.647 17.387 {R1 val 227} 21.313 18.246 16.864 {R2 val a 227}P 20.691 16.926 20.31 {R2 val 227} 21.231 17.468 20.005 {R2 val 227} 21.718 17.972 19.622 {R2 val 227} 22.171 18.445 19.165 {R2 val 227} 22.611 18.895 18.64 {R1 tyr a 228}P 21.313 18.246 16.864 {R1 tyr 228} 21.642 18.832 16.363 {R1 tyr 228} 21.996 19.411 15.906 {R1 tyr 228} 22.348 19.978 15.473 {R1 tyr 228} 22.668 20.525 15.034 {R2 tyr a 228}P 22.611 18.895 18.64 {R2 tyr 228} 23.061 19.332 18.054 {R2 tyr 228} 23.532 19.761 17.415 {R2 tyr 228} 23.989 20.166 16.732 {R2 tyr 228} 24.386 20.532 16.014 {R1 ala a 229}P 22.668 20.525 15.034 {R1 ala 229} 22.926 21.047 14.56 {R1 ala 229} 23.103 21.533 14.029 {R1 ala 229} 23.235 21.966 13.442 {R1 ala 229} 23.367 22.326 12.806 {R2 ala a 229}P 24.386 20.532 16.014 {R2 ala 229} 24.675 20.838 15.269 {R2 ala 229} 24.828 21.071 14.508 {R2 ala 229} 24.882 21.231 13.746 {R2 ala 229} 24.892 21.321 12.996 {R1 ala 229} 23.367 22.326 12.806 {R1 arg a 230}P 24.129 21.824 12.901 {R1 arg 230} width4 24.229 21.971 12.203 {R1 arg 230} width4 24.397 22.037 11.507 {R1 arg 230} width4 24.636 22.035 10.806 {R1 arg 230} width4 24.937 21.984 10.093 {R1 val a 231}P 24.937 21.984 10.093 {R1 val 231} width4 25.291 21.904 9.357 {R1 val 231} width4 25.673 21.815 8.597 {R1 val 231} width4 25.996 21.755 7.841 {R1 val 231} width4 26.159 21.765 7.126 {R1 thr a 232}P 26.159 21.765 7.126 {R1 thr 232} width4 26.058 21.886 6.489 {R1 thr 232} width4 25.636 22.15 5.966 {R1 thr 232} width4 25.017 22.554 5.595 {R1 thr 232} width4 24.37 23.088 5.416 {R1 ala a 233}P 24.37 23.088 5.416 {R1 ala 233} width4 23.866 23.739 5.468 {R1 ala 233} width4 23.638 24.483 5.759 {R1 ala 233} width4 23.687 25.24 6.185 {R1 ala 233} width4 23.978 25.915 6.609 {R1 leu a 234}P 23.978 25.915 6.609 {R1 leu 234} width4 24.476 26.413 6.896 {R1 leu 234} width4 25.138 26.67 6.938 {R1 leu 234} width4 25.895 26.737 6.741 {R1 leu 234} width4 26.665 26.696 6.337 {R1 val a 235}P 26.665 26.696 6.337 {R1 val 235} width4 27.371 26.626 5.76 {R1 val 235} width4 27.947 26.605 5.054 {R1 val 235} width4 28.385 26.688 4.314 {R1 val 235} width4 28.691 26.926 3.646 {R1 asn a 236}P 28.691 26.926 3.646 {R1 asn 236} width4 28.87 27.371 3.156 {R1 asn 236} width4 28.94 28.041 2.928 {R1 asn 236} width4 28.968 28.825 2.963 {R1 asn 236} width4 29.035 29.578 3.239 {R1 trp a 237}P 29.035 29.578 3.239 {R1 trp 237} width4 29.221 30.156 3.735 {R1 trp 237} width4 29.583 30.446 4.407 {R1 trp 237} width4 30.097 30.461 5.125 {R1 trp 237} width4 30.712 30.246 5.737 {R1 val a 238}P 30.712 30.246 5.737 {R1 val 238} width4 31.383 29.847 6.091 {R1 val 238} width4 32.059 29.321 6.074 {R1 val 238} width4 32.692 28.785 5.731 {R1 val 238} width4 33.232 28.367 5.146 {R1 gln a 239}P 33.232 28.367 5.146 {R1 gln 239} width4 33.628 28.197 4.402 {R1 gln 239} width4 33.849 28.368 3.592 {R1 gln 239} width4 33.934 28.833 2.832 {R1 gln 239} width4 33.941 29.51 2.247 {R1 gln 240}P 33.941 29.51 2.247 {R1 gln 240} width4 33.93 30.314 1.963 {R1 gln 240} width4 33.953 31.159 2.063 {R1 gln 240} width4 34.051 31.939 2.47 {R1 gln 240} width4 34.259 32.546 3.066 {R1 thr 241}P 34.259 32.546 3.066 {R1 thr 241} width4 34.614 32.869 3.733 {R1 thr 241} width4 35.131 32.837 4.358 {R1 thr 241} width4 35.757 32.528 4.844 {R1 thr 241} width4 36.417 32.058 5.10 {R1 leu 242}P 36.417 32.058 5.10 {R1 leu 242} width4 37.038 31.543 5.034 {R1 leu 242} width4 37.557 31.091 4.595 {R1 leu 242} width4 37.964 30.785 3.888 {R1 leu 242} width4 38.261 30.70 3.059 {R1 ala 243}P 38.261 30.70 3.059 {R1 ala 243} width4 38.448 30.91 2.254 {R1 ala 243} width4 38.539 31.452 1.601 {R1 ala 243} width4 38.585 32.212 1.154 {R1 ala 243} width4 38.654 33.036 0.951 {R1 ala 244}P 38.654 33.036 0.951 {R1 ala 244} width4 38.807 33.773 1.028 {R1 ala 244} width4 39.094 34.302 1.399 {R1 ala 244} width4 39.488 34.629 1.987 {R1 ala 244} width4 39.949 34.792 2.692 {R1 asn 245}P 39.949 34.792 2.692 {R1 asn 245} width4 40.434 34.832 3.413 {R1 asn 245} width4 40.899 34.786 4.059 {R1 asn 245} width4 41.294 34.698 4.576 {R1 asn 245} width4 41.569 34.613 4.919 {R1 asn 245}P 41.569 34.613 4.919 {R1 asn 245} width4 41.672 34.575 5.043 @subgroup {SS} dominant @vectorlist {ss} color= gold master= {domain 2} {ca cys a 1}P 40.345 14.599 2.14 {cb cys a 1}39.215 15.214 1.284 {sg cys a 1}37.649 15.819 1.913 {sg cys a 122}36.339 14.497 2.687 {cb cys a 122}35.018 15.516 3.36 {ca cys a 122}35.79 16.869 5.375 {ca cys a 136}P 26.319 7.901 11.737 {cb cys a 136}26.054 9.913 10.946 {sg cys a 136}25.106 10.176 9.372 {sg cys a 201}26.074 11.718 8.579 {cb cys a 201}27.172 10.927 7.337 {ca cys a 201} 29.419 10.582 7.687 @subgroup {cat triad} dominant @vectorlist {His,Asp} color= green master= {domain 1} {ca his a 57}P 28.691 28.51 22.151 {cb his a 57}27.441 27.724 22.518 {cg his a 57}27.711 26.268 22.692 {nd1 his a 57}27.449 25.299 21.72 {ce1 his a 57}27.787 24.143 22.229 {ne2 his a 57}28.219 24.29 23.459 {ce1 his a 57}27.787 24.143 22.229 {cg his a 57}P 27.711 26.268 22.692 {cd2 his a 57}28.206 25.605 23.753 {ne2 his a 57}28.219 24.29 23.459 {ce1 his a 57}27.787 24.143 22.229 {ca asp a 102}P 26.263 27.454 16.23 {cb asp a 102}25.612 26.547 17.282 {cg asp a 102}26.373 26.259 18.576 {od1 asp a 102}26.215 25.289 19.348 {cg asp a 102}P 26.373 26.259 18.576 {od2 asp a 102}27.25 27.077 18.886 @vectorlist {Ser} color= green master= {domain 2} {ca ser a 195}P 30.268 20.144 22.534 {cb ser a 195}30.081 21.398 23.463 {og ser a 195}28.708 21.332 23.826 @kinemage 2 @caption (B&T Fig. 11.9) Trypsin-BPTI complex. Animate for a tour: overview of complex; nonspecific binding; catalytic triad backed up by Ser 214; and summary of active site. (from PDB file 2PTC) @onewidth @viewid {overview} @zoom 1.0 @zslab 150 @center 10.604 74.805 17.634 @matrix -.128598 .197585 -.971814 .42117 .898066 .126859 .89782 -.392984 -.198706 @2viewid {nonspecific} @2zoom 3.36 @2zslab 70 @2center 16.924 74.203 18.577 @2matrix .168044 -.691763 -.702301 .526607 -.539265 .657177 -.833336 -.48027 .273666 @3viewid {cat. triad} @3zoom 3.81 @3zslab 130 @3center 11.243 72.798 20.565 @3matrix .931408 -.136803 .337291 -.332613 -.696228 .63611 .147809 -.704664 -.693975 @4viewid {site sum.} @4zoom 2.56 @4zslab 90 @4center 13.758 72.915 18.894 @4matrix .347131 -.92326 .164599 -.557077 -.061809 .828158 -.754431 -.379172 -.535783 @group {complex} animate moview= 1 @subgroup {Trypsin} dominant @vectorlist {main ch} color= white {ca phe e 41}P 8.365 72.109 10.318 {c phe e 41}8.777 71.588 11.702 {o phe e 41}9.542 72.275 12.433 {c phe e 41}P 8.777 71.588 11.702 {n cys e 42}8.211 70.46 12.08 {ca cys e 42}8.376 69.841 13.415 {ca his e 57}P 7.15 76.215 20.22 {c his e 57}6.885 75.82 18.776 {o his e 57}6.934 76.707 17.9 {c his e 57}P 6.885 75.82 18.776 {n cys e 58}6.423 74.604 18.586 {ca cys e 58}5.914 74.119 17.313 {ca gln e 192}P 16.472 72.578 13.43 {c gln e 192}15.707 71.615 12.505 {o gln e 192}16.343 70.818 11.781 {c gln e 192}P 15.707 71.615 12.505 {n gly e 193}14.424 71.447 12.775 {ca gly e 193}13.621 70.387 12.153 {c gly e 193}13.146 69.28 13.1 {o gly e 193}12.235 68.465 12.728 {c gly e 193}P 13.146 69.28 13.1 {n asp e 194}13.955 69.113 14.157 {ca asp e 194}13.835 67.977 15.088 {c asp e 194}12.856 68.229 16.221 {o asp e 194}12.274 67.223 16.714 {c asp e 194}P 12.856 68.229 16.221 {n ser e 195}12.612 69.519 16.499 {ca ser e 195}11.673 69.958 17.575 {ca ser e 214}P 13.406 71.329 22.399 {c ser e 214}14.352 72.447 21.893 {o ser e 214}13.935 73.394 21.166 {c ser e 214}P 14.352 72.447 21.893 {n trp e 215}15.514 72.547 22.483 {ca trp e 215}16.447 73.649 22.181 {c trp e 215}17.919 73.258 22.442 {o trp e 215}18.166 72.1 22.864 {c trp e 215}P 17.919 73.258 22.442 {n gly e 216}18.861 74.152 22.16 {ca gly e 216}20.311 74.013 22.404 {c gly e 216} 21.087 75.26 21.985 {o gly e 216}20.494 76.127 21.303 {c gly e 216}P 21.087 75.26 21.985 {n ser e 217}22.409 75.265 22.119 {ca ser e 217}23.222 76.338 21.461 @vectorlist {Calphas} color= white {ca ile e 16}P 19.782 64.969 13.587 {ca val e 17}23.595 65.525 13.234 {ca gly e 18}25.73 62.514 13.495 {ca gly e 19}22.953 59.979 13.312 {ca tyr e 20}22.066 57.088 10.99 {ca thr e 21}19.105 56.192 8.767 {ca cys e 22}16.594 54.468 11.02 {ca gly e 23}15.229 52.325 8.278 {ca ala e 24}11.672 52.534 7.047 {ca asn e 25}8.751 52.578 9.507 {ca thr e 26}11.063 51.406 12.319 {ca val e 27}10.09 54.384 14.523 {ca pro e 28}6.372 53.812 14.237 {ca tyr e 29}5.445 56.515 16.763 {ca gln e 30}7.304 59.335 14.955 {ca val e 31}5.136 61.903 13.277 {ca ser e 32}5.765 64.796 10.945 {ca leu e 33}4.023 68.124 11.539 {ca asn e 34}3.198 69.717 8.22 {ca ser e 37}2.111 73.211 7.298 {ca gly e 38}2.959 73.039 3.631 {ca tyr e 39}6.282 71.56 4.636 {ca his e 40}7.839 69.643 7.523 {ca phe e 41}8.365 72.109 10.318 {ca cys e 42}P 8.376 69.841 13.415 {ca gly e 43}8.251 66.357 14.851 {ca gly e 44}5.882 64.658 17.309 {ca ser e 45}5.096 61.357 19.068 {ca leu e 46}1.925 59.357 18.713 {ca ile e 47}0.571 58.707 22.253 {ca asn e 48}-2.713 57.07 21.275 {ca ser e 49}-4.909 56.896 18.153 {ca gln e 50}-6.007 60.517 18.295 {ca trp e 51}-3.316 62.217 20.34 {ca val e 52}0.105 63.477 19.448 {ca val e 53}2.545 65.162 21.863 {ca ser e 54}5.044 67.809 20.593 {ca ala e 55}6.782 71.047 21.586 {ca ala e 56}4.937 74.181 22.518 {ca his e 57}7.15 76.215 20.22 {ca cys e 58}P 5.914 74.119 17.313 {ca tyr e 59}2.441 75.588 17.782 {ca lys e 60}0.919 76.641 14.399 {ca ser e 61}-2.569 76.906 12.936 {ca gly e 62}-3.446 74.663 10.033 {ca ile e 63}-1.35 71.724 11.114 {ca gln e 64}-1.486 68.463 9.26 {ca val e 65}-0.058 65.447 11.009 {ca arg e 66}1.655 62.774 8.886 {ca leu e 67}1.837 59.202 10.188 {ca gly e 69}3.672 56.273 8.725 {ca glu e 70}6.37 58.466 7.051 {ca asp e 71}9.9 57.526 6.04 {ca asn e 72}10.616 59.648 2.92 {ca ile e 73}8.69 62.797 3.734 {ca asn e 74}9.176 63.936 0.21 {ca val e 75}7.431 61.121 -1.652 {ca val e 76}4.295 59.15 -1.22 {ca glu e 77}5.223 55.58 -0.276 {ca gly e 78}1.743 54.139 0.362 {ca asn e 79}2.087 53.823 4.144 {ca glu e 80}0.977 57.284 5.179 {ca gln e 81}-1.968 58.715 6.973 {ca phe e 82}-2.387 62.454 6.582 {ca ile e 83}-4.736 63.706 9.284 {ca ser e 84}-5.474 67.332 10.289 {ca ala e 85}-5.447 68.55 13.863 {ca ser e 86}-8.818 69.393 15.521 {ca lys e 87}-7.18 70.949 18.584 {ca ser e 88}-3.72 72.063 19.702 {ca ile e 89}-3.213 72.515 23.385 {ca val e 90}-0.024 74.31 24.492 {ca his e 91}0.815 73.817 28.138 {ca pro e 92}-0.943 76.397 30.272 {ca ser e 93}2.348 77.427 31.805 {ca tyr e 94}4.515 77.51 28.668 {ca asn e 95}7.058 80.395 28.972 {ca ser e 96}8.214 81.55 25.565 {ca asn e 97}11.221 83.315 26.909 {ca thr e 98}12.629 80.573 29.14 {ca leu e 99}11.188 77.677 27.235 {ca asn e 100}9.865 76.242 30.449 {ca asn e 101}7.076 73.695 30.004 {ca asp e 102}7.817 73.29 26.31 {ca ile e 103}4.996 70.812 25.703 {ca met e 104}1.862 70.552 23.581 {ca leu e 105}-0.87 68.1 22.686 {ca ile e 106}-2.472 67.737 19.336 {ca lys e 107}-5.786 66.115 18.829 {ca leu e 108}-6.25 64.6 15.366 {ca lys e 109}-9.606 65.308 13.515 {ca ser e 110}-10.008 61.583 13.293 {ca ala e 111}-8.35 58.631 14.874 {ca ala e 112}-5.434 57.061 13.074 {ca ser e 113}-5.409 53.44 12.177 {ca leu e 114}-2.961 51.681 14.232 {ca asn e 115}-0.913 49.088 12.41 {ca ser e 116}2.717 48. 12.286 {ca arg e 117}3.938 51.072 10.475 {ca val e 118}1.932 53.356 12.86 {ca ala e 119}2.039 52.646 16.536 {ca ser e 120}1.981 54.725 19.679 {ca ile e 121}4.541 55.209 22.432 {ca ser e 122}4.04 54.519 26.116 {ca leu e 123}4.244 57.318 28.563 {ca pro e 124}6.78 56.742 31.332 {ca thr e 125}6.067 55.662 34.889 {ca ser e 127}9.26 57.1 36.205 {ca cys e 128}11.957 59.524 35.131 {ca ala e 129}15.123 58.319 33.5 {ca ser e 130}18.539 58.685 35.142 {ca ala e 132}21.849 59.944 33.86 {ca gly e 133}23.507 57.433 31.634 {ca thr e 134}20.294 56.04 30.192 {ca gln e 135}20.804 55.499 26.502 {ca cys e 136}17.922 56.852 24.406 {ca leu e 137}16.759 57.125 20.827 {ca ile e 138}16.293 60.53 19.285 {ca ser e 139}14.731 60.62 15.79 {ca gly e 140}13.76 63.337 13.302 {ca trp e 141}13.877 64.888 9.777 {ca gly e 142}15.894 67.93 10.788 {ca asn e 143}19.26 69.315 9.71 {ca thr e 144}22.12 66.84 9.407 {ca lys e 145}24.964 69.371 9.291 {ca ser e 146}26.423 71.061 12.358 {ca ser e 147}27.545 73.973 10.353 {ca gly e 148}25.774 74.121 7.077 {ca thr e 149}22.477 72.764 5.876 {ca ser e 150}21.359 69.361 4.774 {ca tyr e 151}17.813 68.157 5.345 {ca pro e 152}17.275 64.478 4.728 {ca asp e 153}14.464 62.633 2.87 {ca val e 154}14.295 59.686 5.223 {ca leu e 155}14.113 59.552 9.003 {ca lys e 156}17.309 59.848 11.045 {ca cys e 157}18.139 58.167 14.42 {ca leu e 158}20.677 58.747 17.214 {ca lys e 159}21.502 56.95 20.455 {ca ala e 160}22.469 59.552 23.005 {ca pro e 161}22.58 59.169 26.729 {ca ile e 162}20.821 61.275 29.336 {ca leu e 163}23.219 63.779 30.951 {ca ser e 164}23.406 64.688 34.538 {ca asp e 165}21.576 67.695 35.828 {ca ser e 166}24.819 69.088 37.075 {ca ser e 167}26.574 68.942 33.777 {ca cys e 168}23.478 70.313 32.057 {ca lys e 169}23.491 73.334 34.339 {ca ser e 170}27.185 73.802 33.672 {ca ala e 171}26.608 73.686 29.948 {ca tyr e 172}23.838 76.284 30.226 {ca pro e 173}24.132 78.336 33.377 {ca gly e 174}20.944 79.773 34.711 {ca gln e 175}18.794 78.26 31.986 {ca ile e 176}17.862 74.756 33.005 {ca thr e 177}14.637 74.28 34.953 {ca ser e 178}13.383 71.166 36.629 {ca asn e 179}11.399 70.36 33.504 {ca met e 180}14.504 70.142 31.302 {ca phe e 181}17.198 67.641 30.692 {ca cys e 182}20.383 67.323 28.522 {ca ala e 183}21.302 64.398 26.309 {ca gly e 184a} 24.168 63.877 23.943 {ca tyr e 184}27.968 64.131 23.858 {ca leu e 185}30.065 66.883 25.381 {ca glu e 186}32.436 66.387 22.565 {ca gly e 187}29.941 67.361 19.844 {ca gly e 188a} 29.112 65.866 16.412 {ca lys e 188}25.937 64.019 17.482 {ca asp e 189}22.785 66.016 18.305 {ca ser e 190}19.322 67.032 17.273 {ca cys e 191}18.968 70.189 15.208 {ca gln e 192}16.472 72.578 13.43 {ca ser e 195}P 11.673 69.958 17.575 {ca gly e 196}8.683 68.13 19.041 {ca gly e 197}10.093 64.682 18.28 {ca pro e 198}10.777 61.835 20.67 {ca val e 199}13.519 60.893 23.056 {ca val e 200}12.525 57.28 23.824 {ca cys e 201}14.382 55.393 26.539 {ca ser e 202}13.575 51.736 27.142 {ca gly e 203}10.298 51.978 25.287 {ca lys e 204}9.069 54.952 27.177 {ca leu e 209}8.766 58.525 26.055 {ca gln e 210}11.208 60.5 28.222 {ca gly e 211}11.768 63.622 26.221 {ca ile e 212}10.71 66.111 23.58 {ca val e 213}13.334 67.677 21.318 {ca ser e 214}13.406 71.329 22.399 {ca ser e 217}P 23.222 76.338 21.461 {ca gly e 219}23.317 75.517 17.818 {ca cys e 220}23.673 71.881 17.064 {ca ala e 221a} 26.368 69.339 17.769 {ca gln e 221}28.684 71.936 19.354 {ca lys e 222}31.366 70.857 21.881 {ca asn e 223}30.238 71.348 25.52 {ca lys e 224}26.706 72.282 24.488 {ca pro e 225}24.496 69.207 24.447 {ca gly e 226}20.879 69.348 23.259 {ca val e 227}18.097 70.317 25.748 {ca tyr e 228}14.825 68.339 26.034 {ca thr e 229}11.481 68.557 27.864 {ca lys e 230}11.322 66.179 30.859 {ca val e 231}8.177 64.247 29.879 {ca cys e 232}8.044 62.299 33.12 {ca asn e 233}6.909 65.477 34.925 {ca tyr e 234}3.863 65.832 32.696 {ca val e 235}2.195 62.415 32.66 {ca ser e 236}-0.642 63.317 34.908 {ca trp e 237}-1.271 66.519 32.991 {ca ile e 238}-1.246 64.644 29.749 {ca lys e 239}-3.649 61.904 30.829 {ca gln e 240}-6.106 64.325 32.205 {ca thr e 241}-5.853 66.659 29.181 {ca ile e 242}-6.405 63.841 26.73 {ca ala e 243}-9.391 62.562 28.773 {ca ser e 244}-11.228 65.838 28.931 {ca asn e 245}-10.874 67.057 25.358 @subgroup {BPTI} dominant @vectorlist {Calpha} color= yellowtint {ca arg i 1}P 12.477 101.61 6.745 {ca pro i 2}13.94 101.032 10.294 {ca asp i 3}17.189 99.893 11.976 {ca phe i 4}15.951 96.436 13.156 {ca cys i 5}15.416 95.907 9.44 {ca leu i 6}19.168 95.942 9.102 {ca glu i 7}19.815 93.196 11.533 {ca pro i 8}20.744 89.737 10.289 {ca pro i 9}18.208 86.972 10.531 {ca tyr i 10}18.085 85.13 13.873 {ca thr i 11}17.289 81.399 13.918 {ca gly i 12}17.541 81.176 17.687 {ca pro i 13}17.972 78.222 20.078 {ca arg i 17}P 12.218 74.38 10.891 {ca ile i 18}9.862 77.349 10.364 {ca ile i 19}10.253 79.425 7.238 {ca arg i 20}9.908 83.163 7.825 {ca tyr i 21}11.003 86.39 6.138 {ca phe i 22}13.634 88.952 6.88 {ca tyr i 23}14.598 92.11 5.173 {ca asn i 24}17.907 91.772 3.351 {ca ala i 25}19.201 95.305 3.081 {ca lys i 26}21.991 94.157 0.8 {ca ala i 27}19.604 92.761 -1.808 {ca gly i 28}16.935 95.314 -1.169 {ca leu i 29}14.266 92.676 -0.62 {ca cys i 30}12.633 90.336 1.701 {ca gln i 31}14.166 86.837 1.86 {ca thr i 32}13.299 83.567 3.577 {ca phe i 33}15.351 81.981 6.375 {ca val i 34}14.856 79.258 8.983 {ca tyr i 35}13.423 80.275 12.319 {ca gly i 36}13.893 77.802 15.097 {ca gly i 37}10.544 78.717 16.654 {ca cys i 38}11.472 80.801 19.687 {ca arg i 39}13.06 83.962 20.816 {ca ala i 40}12.49 85.84 17.507 {ca lys i 41}14.113 89.172 16.769 {ca arg i 42}12.299 91.924 15.042 {ca asn i 43}13.561 91.32 11.525 {ca asn i 44}11.285 88.273 11.304 {ca phe i 45}7.961 88.329 9.31 {ca lys i 46}5.381 85.715 8.517 {ca ser i 47}4.914 86.75 4.919 {ca ala i 48}6.809 88.724 2.315 {ca glu i 49}4.025 91.29 2.256 {ca asp i 50}4.383 92.031 6.006 {ca cys i 51}8.097 92.325 5.571 {ca met i 52}7.929 94.691 2.617 {ca arg i 53}5.41 96.869 4.521 {ca thr i 54}7.563 97.173 7.63 {ca cys i 55}11.115 97.211 6.28 {ca gly i 56}11.031 97.646 2.472 {ca gly i 57}12.745 100.992 2.049 {ca ala i 58}15.637 100.284 4.482 @vectorlist {main ch} color= yellowtint {ca pro i 13}P 17.972 78.222 20.078 {c pro i 13}17.06 77.021 19.881 {o pro i 13}17.58 75.884 19.762 {c pro i 13}P 17.06 77.021 19.881 {n cys i 14}15.774 77.283 19.662 {ca cys i 14}14.82 76.211 19.312 {c cys i 14}15.003 75.624 17.919 {o cys i 14}15.688 76.253 17.071 {c cys i 14}P 15.003 75.624 17.919 {n lys i 15}14.539 74.396 17.8 {ca lys i 15}14.828 73.428 16.759 {c lys i 15}13.619 73.02 15.929 {o lys i 15}13.557 71.901 15.351 {n ala i 16}P 12.834 73.978 15.672 {ca ala i 16}11.831 73.808 14.592 {c ala i 16}12.484 74.216 13.274 {o ala i 16}13.509 74.936 13.282 {c ala i 16}P 12.484 74.216 13.274 {n arg i 17}11.882 73.842 12.19 {ca arg i 17}12.218 74.38 10.891 @vectorlist {sciss. bond} color= sea {c lys i 15}P 13.619 73.02 15.929 {n ala i 16}12.834 73.978 15.672 @vectorlist {sc} color= yellow {ca lys i 15}P 14.828 73.428 16.759 {cb lys i 15}15.416 72.183 17.428 {cg lys i 15}16.753 72.549 18.115 {cd lys i 15}17.464 71.29 18.617 {ce lys i 15}18.896 71.621 19.154 {nz lys i 15}19.437 70.451 19.914 @vectorlist {SS} color= gold {ca cys i 14}P 14.82 76.211 19.312 {cb cys i 14}13.36 76.627 19.534 {sg cys i 14}13.064 77.169 21.205 {sg cys i 38}13.334 79.181 21.215 {cb cys i 38}11.675 79.908 20.963 {ca cys i 38}11.472 80.801 19.687 @group dominant {nonsp bind} animate moview= 2 @subgroup {tryp} instance= {Trypsin} @subgroup {pti} instance= {BPTI} @subgroup {nonsp extra} @vectorlist {nonsp Hb} color= purple {o pro i 13}P U 17.858 75.508 20.283 {n gly e 216}U 18.583 74.528 21.639 {n lys i 15}P U 14.42 74.199 18.461 {o ser e 214}U 14.054 73.591 20.505 {ne2 gln e 192}P U 17.476 75.679 15.951 {o cys i 14}U 16.26 76.069 16.712 @balllist {mc N} color=sky radius= 0.1 {n gly e 216}18.861 74.152 22.16 {n lys i 15}14.539 74.396 17.8 @balllist {mc O} color= red radius= 0.1 {o ser e 214}13.935 73.394 21.166 {o gly e 216}20.494 76.127 21.303 {o pro i 13}17.58 75.884 19.762 {o cys i 14}15.688 76.253 17.071 {o lys i 15}13.557 71.901 15.351 @vectorlist {nonspec sc} color=pink {ca gln e 192}P 16.472 72.578 13.43 {cb gln e 192}16.928 73.795 12.626 {cg gln e 192}17.076 75.036 13.503 {cd gln e 192}18.232 74.86 14.469 {oe1 gln e 192}19.352 74.528 14.022 {cd gln e 192}P 18.232 74.86 14.469 {ne2 gln e 192}18.048 75.495 15.592 @balllist {sc N} color=sky radius= 0.1 {ne2 gln e 192}18.048 75.495 15.592 {nz lys i 15}19.437 70.451 19.914 @labellist {nsp lbl} color=greentint {Nonspec.}18.946 76.677 25.963 {binding}19.934 76.719 26.176 @group dominant {cat triad} animate moview= 3 @subgroup {tryp} instance= {Trypsin} @subgroup {pti} instance= {BPTI} @subgroup {triad extra} @balllist {cat O} color= red radius= .15 {od2 asp e 102}10.295 73.989 23.683 {og ser e 195}12.34 72.168 18.119 {og ser e 214}12.65 72.778 24.159 @balllist {cat N} color= sky radius= .15 {nd1 his e 57}10.064 74.734 21.177 {ne2 his e 57}11.051 74.132 19.27 @vectorlist {cat triad} color=hotpink {ca his e 57}P 7.15 76.215 20.22 {cb his e 57}8.621 76.713 20.439 {cg his e 57}9.666 75.626 20.166 {nd1 his e 57}10.064 74.734 21.177 {ce1 his e 57}10.922 73.781 20.615 {ne2 his e 57}11.051 74.132 19.27 {cg his e 57}P 9.666 75.626 20.166 {cd2 his e 57}10.269 75.276 19.021 {ne2 his e 57}11.051 74.132 19.27 {ca asp e 102}P 7.817 73.29 26.31 {cb asp e 102}9.217 73.49 25.717 {cg asp e 102}9.179 73.915 24.258 {od1 asp e 102}8.113 73.873 23.572 {cg asp e 102}P 9.179 73.915 24.258 {od2 asp e 102}10.295 73.989 23.683 {ca ser e 195}P 11.673 69.958 17.575 {cb ser e 195}11.303 71.422 17.492 {og ser e 195}12.34 72.168 18.119 @vectorlist {tri sc} color=pink {ca ser e 214}P 13.406 71.329 22.399 {cb ser e 214}13.103 71.462 23.904 {og ser e 214}12.65 72.778 24.159 @vectorlist {triad Hb} color= purple {og ser e 195}P U 11.995 72.694 18.427 {ne2 his e 57}U 11.396 73.606 18.962 {nd1 his e 57}P U 10.126 74.535 21.845 {od2 asp e 102}U 10.233 74.188 23.015 {od2 asp e 102}P U 10.908 73.674 23.807 {og ser e 214}U 12.037 73.093 24.035 @labellist {tri lbl} color=greentint {Cat. triad} P 7.985 74.212 19.737 @group dominant {activ site} animate moview= 4 @subgroup {tryp} instance= {Trypsin} @subgroup {pti} instance= {BPTI} @subgroup {nsp ex} instance= {nonsp extra} @subgroup {tri ex} instance= {triad extra} @subgroup {site extra} @vectorlist {pock sc} color=pink {ca asp e 189}P 22.785 66.016 18.305 {cb asp e 189}23.351 67.437 18.441 {cg asp e 189}22.757 68.227 19.606 {od1 asp e 189}23.089 69.429 19.8 {cg asp e 189}P 22.757 68.227 19.606 {od2 asp e 189}21.821 67.736 20.287 @vectorlist {oxy Hb} color=purple {n arg i 17}P U 11.303 73.454 12.25 {o phe e 41}U 10.121 72.663 12.373 {n gly e 193}P U 14.204 71.562 13.429 {o lys i 15}U 13.777 71.786 14.697 {n ser e 195}P U 12.848 70.113 16.213 {o lys i 15}U 13.321 71.307 15.637 @subgroup {site ex} @labellist {site lbl} color=greentint {Spec. pocket}P 20.244 71.812 21.618 {Oxy hole}P 12.46 72.591 15.391 @kinemage 3 @caption (B&T Fig. 11.9, 11.12) Trypsin-BPTI complex: close-ups of active site features, with dot-surface contacts between enzyme and inhibitor. View1 shows BPTI Lys 15 in the specificity pocket, with interactions including a water. View2 shows the CO of the scissile bond in the oxyanion hole (Hbonds and blue dots). View3 shows Ser 195 and catalytic triad attacking the scissile bond (red arrow). (from PDB file 2PTC) @onewidth @viewid {binding site} @zoom 1.26 @zslab 100 @center 16.682 71.023 19.182 @matrix 0.005663 0.622983 0.782215 0.617628 -0.617371 0.487226 0.786450 0.480359 -0.388267 @2viewid {oxyanion hole} @2zoom 1.93 @2zslab 120 @2center 14.400 71.016 15.034 @2matrix 0.042771 0.474634 -0.879144 0.776650 0.537742 0.328101 0.628479 -0.696819 -0.345623 @3viewid {attack!} @3zoom 1.8 @3zslab 100 @3center 11.359 73.383 19.196 @3matrix -0.018012 0.714276 -0.699634 0.907572 -0.281918 -0.311186 -0.419511 -0.640573 -0.643176 @group {Trypsin} @subgroup {main ch} dominant @balllist {N} color=blue radius= 0.15 {n gly e 193}P 14.424 71.447 12.775 {n asp e 194} 13.955 69.113 14.157 {n ser e 195}P 12.612 69.519 16.499 @balllist {O} color= red radius= 0.15 {o ser e 214}P 13.935 73.394 21.166 {o ser e 190}P 20.298 69.247 17.292 @vectorlist {main ch} color= white {c ala e 56}P 5.367 75.189 21.454 {n his e 57}6.644 75.22 21.18 {ca his e 57}7.15 76.215 20.22 {c his e 57}6.885 75.82 18.776 {o his e 57}6.934 76.707 17.9 {ca asp e 189}P 22.785 66.016 18.305 {c asp e 189}21.501 66.073 17.467 {o asp e 189}21.497 65.769 16.248 {c asp e 189}P 21.501 66.073 17.467 {n ser e 190}20.5 66.677 18.033 {ca ser e 190}19.322 67.032 17.273 {c ser e 190}19.431 68.485 16.81 {o ser e 190}20.298 69.247 17.292 {c ser e 190}P 19.431 68.485 16.81 {n cys e 191}18.733 68.856 15.781 {ca cys e 191}18.968 70.189 15.208 {c cys e 191}17.658 70.744 14.658 {o cys e 191}16.705 69.925 14.682 {c cys e 191}P 17.658 70.744 14.658 {n gln e 192}17.647 71.989 14.081 {ca gln e 192}16.472 72.578 13.43 {c gln e 192}15.707 71.615 12.505 {o gln e 192}16.343 70.818 11.781 {c gln e 192}P 15.707 71.615 12.505 {n gly e 193}14.424 71.447 12.775 {ca gly e 193}13.621 70.387 12.153 {c gly e 193}13.146 69.28 13.1 {o gly e 193}12.235 68.465 12.728 {c gly e 193}P 13.146 69.28 13.1 {n asp e 194}13.955 69.113 14.157 {ca asp e 194}13.835 67.977 15.088 {c asp e 194}12.856 68.229 16.221 {o asp e 194}12.274 67.223 16.714 {c asp e 194}P 12.856 68.229 16.221 {n ser e 195}12.612 69.519 16.499 {ca ser e 195}11.673 69.958 17.575 {c ser e 195}10.358 69.209 17.65 {o ser e 195}9.746 68.98 16.6 {c ser e 195}P 10.358 69.209 17.65 {n gly e 196}9.948 68.836 18.829 {ca gly e 196}8.683 68.13 19.041 {c gly e 196}8.809 66.619 19.031 {o gly e 196}7.913 65.948 19.565 {c gly e 196}P 8.809 66.619 19.031 {n gly e 197}9.838 66.114 18.364 {ca gly e 197}10.093 64.682 18.28 {c ile e 212}P 11.86 67.007 23.11 {n val e 213}12.295 66.807 21.871 {ca val e 213}13.334 67.677 21.318 {c val e 213}12.961 69.153 21.417 {o val e 213}11.867 69.562 20.978 {c val e 213}P 12.961 69.153 21.417 {n ser e 214}13.747 69.924 22.134 {ca ser e 214}13.406 71.329 22.399 {c ser e 214}14.352 72.447 21.893 {o ser e 214}13.935 73.394 21.166 {c ser e 214}P 14.352 72.447 21.893 {n trp e 215}15.514 72.547 22.483 {ca trp e 215}16.447 73.649 22.181 {c trp e 215}17.919 73.258 22.442 {o trp e 215}18.166 72.1 22.864 {c trp e 215}P 17.919 73.258 22.442 {n gly e 216}18.861 74.152 22.16 {ca gly e 216}20.311 74.013 22.404 @vectorlist {turn Hb} color= purple {n gly e 197}P U 10.38 66.361 17.997 {o asp e 194}U 11.732 66.976 17.081 {n asp e 194}P U 14.615 69.308 14.283 {o cys e 191}U 16.045 69.73 14.556 @subgroup {side ch} dominant @balllist {N} color= blue radius= 0.15 {nd1 his e 57}P 10.064 74.734 21.177 {ne2 his e 57}P 11.051 74.132 19.27 @balllist {O} color= red radius= 0.15 {od1 asp e 102}P 8.113 73.873 23.572 {od2 asp e 102}P 10.295 73.989 23.683 {og ser e 195}P 12.34 72.168 18.119 {og ser e 214}P 12.65 72.778 24.159 {og ser e 190} 18.211 67.627 19.347 {od1 asp e 189} 23.089 69.429 19.8 {od2 asp e 189} 21.821 67.736 20.287 @vectorlist {cat tri} color=hotpink {ca his e 57}P 7.15 76.215 20.22 {cb his e 57}8.621 76.713 20.439 {cg his e 57}9.666 75.626 20.166 {nd1 his e 57}10.064 74.734 21.177 {ce1 his e 57}10.922 73.781 20.615 {ne2 his e 57}11.051 74.132 19.27 {cg his e 57}P 9.666 75.626 20.166 {cd2 his e 57}10.269 75.276 19.021 {ne2 his e 57}11.051 74.132 19.27 {ca asp e 102}P 7.817 73.29 26.31 {cb asp e 102}9.217 73.49 25.717 {cg asp e 102}9.179 73.915 24.258 {od1 asp e 102}8.113 73.873 23.572 {cg asp e 102}P 9.179 73.915 24.258 {od2 asp e 102}10.295 73.989 23.683 {ca ser e 195}P 11.673 69.958 17.575 {cb ser e 195}11.303 71.422 17.492 {og ser e 195}12.34 72.168 18.119 @vectorlist {other sc} color=pink {ca asp e 189}P 22.785 66.016 18.305 {cb asp e 189}23.351 67.437 18.441 {cg asp e 189}22.757 68.227 19.606 {od1 asp e 189}23.089 69.429 19.8 {cg asp e 189}P 22.757 68.227 19.606 {od2 asp e 189}21.821 67.736 20.287 {ca ser e 190}P 19.322 67.032 17.273 {cb ser e 190}18.091 66.823 18.18 {og ser e 190}18.211 67.627 19.347 {ca ser e 214}P 13.406 71.329 22.399 {cb ser e 214}13.103 71.462 23.904 {og ser e 214}12.65 72.778 24.159 @vectorlist {triad Hb} color= purple {og ser e 195}P U 11.995 72.694 18.427 {ne2 his e 57}U 11.396 73.606 18.962 {nd1 his e 57}P U 10.126 74.535 21.845 {od2 asp e 102}U 10.233 74.188 23.015 {od2 asp e 102}P U 10.908 73.674 23.807 {og ser e 214}U 12.037 73.093 24.035 @group {BPTI} @subgroup {main ch} dominant @balllist {N atoms} color= blue radius= 0.15 {n cys i 14} 15.774 77.283 19.662 {n lys i 15} 14.539 74.396 17.8 {n ala i 16} 12.834 73.978 15.672 {n arg i 17} 11.882 73.842 12.19 @balllist {O atoms} color= red radius= 0.15 {o pro i 13} 17.58 75.884 19.762 {o cys i 14} 15.688 76.253 17.071 {o lys i 15} 13.457 71.901 15.351 {o ala i 16} 13.509 74.936 13.282 @vectorlist {main ch} color= yellowtint {ca pro i 13}P 17.972 78.222 20.078 {c pro i 13}17.06 77.021 19.881 {o pro i 13}17.58 75.884 19.762 {c pro i 13}P 17.06 77.021 19.881 {n cys i 14}15.774 77.283 19.662 {ca cys i 14}14.82 76.211 19.312 {c cys i 14}15.003 75.624 17.919 {o cys i 14}15.688 76.253 17.071 {c cys i 14}P 15.003 75.624 17.919 {n lys i 15}14.539 74.396 17.8 {ca lys i 15}14.828 73.428 16.759 {c lys i 15}13.619 73.02 15.929 {o lys i 15}13.457 71.901 15.351 {c lys i 15}P 13.619 73.02 15.929 {n ala i 16}12.834 73.978 15.672 {ca ala i 16}11.831 73.808 14.592 {c ala i 16}12.484 74.216 13.274 {o ala i 16}13.509 74.936 13.282 {c ala i 16}P 12.484 74.216 13.274 {n arg i 17}11.882 73.842 12.19 {ca arg i 17}12.218 74.38 10.891 @vectorlist {sciss. bond} color= sea {c lys i 15}P 13.619 73.02 15.929 {n ala i 16}12.834 73.978 15.672 @subgroup {side ch} dominant @balllist {N atom} color= blue radius= 0.15 {nz lys i 15} 19.437 70.451 19.914 @vectorlist {sc} color=yellow {ca lys i 15}P 14.828 73.428 16.759 {cb lys i 15}15.416 72.183 17.428 {cg lys i 15}16.753 72.549 18.115 {cd lys i 15}17.464 71.29 18.617 {ce lys i 15}18.896 71.621 19.154 {nz lys i 15}19.437 70.451 19.914 @group {cntact dots} dominant @dotlist {C} color= green {CG HIS 57 SG} P 11.187 75.926 20.955 {CG HIS 57 SG} P 11.085 76.235 20.969 {CG HIS 57 SG} P 10.92 76.515 20.981 {CG HIS 57 SG} P 11.307 75.931 20.656 {CG HIS 57 SG} P 11.212 76.245 20.67 {CG HIS 57 SG} P 11.058 76.534 20.682 {CG HIS 57 SG} P 10.849 76.787 20.693 {CG HIS 57 CB} P 11.365 75.957 20.341 {CG HIS 57 SG} P 11.271 76.272 20.355 {CG HIS 57 SG} P 11.118 76.564 20.368 {CG HIS 57 SG} P 10.913 76.821 20.379 {CG HIS 57 CB} P 11.274 76.276 20.034 {CD2 HIS 57 CB} P 11.62 75.55 20.083 {CD2 HIS 57 CB} P 11.51 75.853 20.096 {CD2 HIS 57 SG} P 11.333 76.122 20.108 {CD2 HIS 57 CB} P 11.79 75.576 19.81 {CD2 HIS 57 CB} P 11.688 75.885 19.824 {CD2 HIS 57 CB} P 11.523 76.165 19.836 {CD2 HIS 57 CB} P 11.303 76.405 19.847 {CD2 HIS 57 CB} P 11.91 75.581 19.511 {CD2 HIS 57 CB} P 11.815 75.895 19.525 {CD2 HIS 57 CB} P 11.661 76.184 19.537 {CD2 HIS 57 CB} P 11.452 76.437 19.548 {CD2 HIS 57 CB} P 11.199 76.645 19.557 {CD2 HIS 57 CB} P 11.968 75.607 19.196 {CD2 HIS 57 CB} P 11.874 75.922 19.21 {CD2 HIS 57 CB} P 11.721 76.214 19.223 {CD2 HIS 57 CB} P 11.516 76.471 19.234 {CD2 HIS 57 CB} P 11.265 76.685 19.243 {CD2 HIS 57 CB} P 12.002 75.283 18.861 {CD2 HIS 57 CB} P 11.97 75.611 18.875 {CD2 HIS 57 CB} P 11.877 75.926 18.889 {CD2 HIS 57 CB} P 11.727 76.219 18.901 {CD2 HIS 57 CB} P 11.523 76.477 18.913 {CD2 HIS 57 CB} P 11.274 76.693 18.922 {CD2 HIS 57 CB} P 11.943 75.307 18.546 {CD2 HIS 57 CB} P 11.908 75.633 18.56 {CD2 HIS 57 CB} P 11.811 75.946 18.574 {CD2 HIS 57 CB} P 11.655 76.234 18.586 {CD2 HIS 57 CB} P 11.445 76.486 18.597 {CD2 HIS 57 O} P 11.618 75.652 17.988 {CD2 HIS 57 O} P 11.505 75.953 18.001 {CD2 HIS 57 O} P 11.326 76.221 18.013 {CD2 HIS 57 O} P 11.394 75.662 17.751 {CD2 HIS 57 O} P 11.255 75.965 17.764 {CD2 HIS 57 O} P 11.037 76.217 17.775 {CD2 HIS 57 O} P 11.119 75.681 17.558 {CD2 HIS 57 O} P 10.939 75.965 17.57 {CE1 HIS 57 SG} P 11.852 75.15 21.151 {CE1 HIS 57 SG} P 11.918 75.19 20.837 {CE1 HIS 57 SG} P 11.632 75.353 20.844 {CE1 HIS 57 CB} P 12.176 74.982 20.507 {CE1 HIS 57 CB} P 11.927 75.198 20.516 {CE1 HIS 57 CB} P 12.308 74.739 20.18 {CE1 HIS 57 CB} P 12.098 74.991 20.191 {CE1 HIS 57 CB} P 11.843 75.198 20.2 {C SER 190 NZ} P 19.421 69.042 18.458 {C SER 190 NZ} P 19.18 69.301 18.326 {C SER 190 NZ} P 18.934 69.49 18.141 {C SER 190 CE} P 19.033 69.768 17.916 {C SER 190 CD} P 18.737 69.641 17.91 {C SER 190 CD