@text Immunogloblin Structure *{Kin 1}* - intact immunogloblin (IgG) *{Kin 2}* - ribbon drawing of an intact immunogloblin CONTACTS AT ANTIGEN-ANTIBODY INTERFACE, COMPARED WITH EVOLVED SUBUNIT INTERACTIONS *{Kin 3}* - contact dots for the antigen-antibody interface *{Kin 4}* - subunit interactions between the light and heavy chains *{KINEMAGE 1}* This is an intact immunogloblin (IgG), with the heavychains in magenta and purple and the lightchains in sea and cyan. The white is sugar and the green and yellow are disulfides. The first VIEW shows a "T"-shaped immunogloblin. The outside ends of the two prongs of the T are the active antibody sites, where the immunogloblin bonds to antigens to keep them from hurting the body. To see another conformation of an intact IgG, click the "ANIMATE" button on the right. This shows the extent of wildly differant conformations these things are capable of. The second one looks more like the Y-diagrams people usually draw of IgGs. VIEW 2 Fc is a closeup of the interface between the two heavychains and the sugars (make sure 1igt is the active group by clicking the animate button). VIEW2 is particularly fun to look at when the kaleidoscope option is active (to do this push "K" on the keyboard, and slowly move the molecule; to turn it off push "K" again and click on the screen). If you go back to VIEW 1, you will notice that the overall molecule is not very symmetrical. However, the pieces are each symmetrical - to see this emphasized turn on "axes" button. The fact that the Fabs are at odd angles to the Fc is because the hinges between them are long and loose. VIEW 3 is a close up of the hinge SSs. VIEW 4 is of Fab, turn on the "CDRs" (in yellowtint) button. To see the antigen binding site head on, choose VIEW 5 and make sure the "CDRs" button is still on. To see how the antigen sites fit into the overall molecule go back to VIEW 1. *{KINEMAGE 2}* Ribbon Immunogloblin This is a ribbon drawing of an intact immunogloblin, with the heavychains in magenta and purple and the lightchains in sea and cyan. The arrows are beta strands pointing along the N- to C-terminal direction of the chain. The strands are organized into beta-sheets; two beta-sheets make a beta-sandwich domain with a disulfide (shown in green) across the middle. The white grape clusters are carbohydrates (linked sugars). VIEW2 Fc is a closeup of the interface between the two heavychains and the carbohydrates. VIEW3 fab is a view of the antigen binding site of light chain A and heavy chain B. Use the following hypertext button to turn on the arrow pointing to the antigen binding site: *{Kin 2, view= 3, m= {arrow} on}* CONTACTS AT ANTIGEN-ANTIBODY INTERFACE, COMPARED WITH EVOLVED SUBUNIT INTERACTIONS *{Kin 3}* - contact dots for the antigen-antibody interface *{Kin 4}* - subunit interactions between the light and heavy chains *{KINEMAGE 3}* - Antigen-antibody contacts These two kinemages use a high resolution (1.5) complex of mouse monoclonal antibody D1.3 with the protein lysozyme bound to it. This is the most accurate structure available for such a complex, which is important because the atomic contacts are sensitive to very fine details of positioning. To look at the detailed interactions between the antigen and the antibody we will use small-probe contact dots, which show patches of interaction only when two atoms are within half an ngstrom of touching (Word et al. (1999) J. Mol. Biol. 285: 1711-1733). The dots are calculated with the Reduce and Probe programs that run on Silicon Graphics workstations. Kinemage 1 starts up with an overview of the antigen, antibody, and their interface, which is shown with contact dots. Most of the molecules are just C-alpha backbones except in the interface where there are side chains (pink for the lysozyme antigen and cyan for the antibody). The water molecules are shown as little red balls. Go up to the VIEWS pulldown menu and choose View2 interface. The dots are color coded by how far apart the two atoms are: when they are further away the dots are blue, when they almost touch the dots are green, and when the atoms overlap a little bit the dots are yellow (still OK). Bad clashes (overlaps more than 0.4) are emphasized by red spikes. The pale green pillow dots are favorable hydrogen bonds, where the electrostatic attraction between oxygens and nitrogens draw them closer together. The antigen-antibody interface needs to be good enough that only one protein will bind there, but unlike most protein interactions it has not been evolved over millions of years. This interface is indeed fairly large with some nice interactions in it, but there are big gaps in between them with lots of waters and no direct contacts. The rest of the views (3-8) are closeups of particular interactions. *{KINEMAGE 4}* - Light-Heavy contacts For comparison, Kinemage 2 shows contact dots between the heavy and the light chains of the D1.3 antibody. That interface is approximately the same overall size as the antigen-antibody one, but has no water molecules in it. It twists to follow the beta sheets, and it has uniformly good, green, contacts all across it. Choose view 2 to see a slice of the heavy-light interface. This interface has good contacts and no big gaps with waters in them. It has about 3000 contact dots while the antigen-antibody one had only about 2000. In the closeup views (3-8) the hydrogen bonds are about equivalent between these two kinemages, but the heavy-light interface has much more extensive and well-fitted atom-atom contacts (mostly green and blue). Antibodies develop quite tight, specific binding in only a few cycles of selection and use a large contact area, but those contacts are not exceptionally well fitted. This is unlike normal subunit contacts which have been evolving for millions of cycles, so they have had time to optimize their interface more thoroughly. @kinemage 1 @caption This is the structure of an intact immunoglobulin. coordinates from file: 1igt deposited by: L.J.HARRIS,S.B.LARSON,K.W.HASEL,A.MCPHERSON @onewidth @zoom 1.05 @zslab 200 @ztran 0 @center -2.411 -16.932 8.823 @matrix -0.147857 -0.836351 0.527878 0.988593 -0.109506 0.103404 -0.028676 0.537146 0.843001 @2viewid {Fc } @2zoom 2.22 @2zslab 160 @2ztran 0 @2center 16.182 -12.896 -24.888 @2matrix -0.544263 -0.805696 -0.233732 -0.579599 0.159711 0.799097 -0.606501 0.570390 -0.553906 @3viewid {hinge SSs } @3zoom 3.83 @3zslab 150 @3ztran 0 @3center 6.098 -11.396 14.511 @3matrix -0.223359 -0.389714 0.893440 0.965881 0.034778 0.256639 -0.131087 0.920279 0.368649 @4viewid {Fab} @4zoom 2.27 @4zslab 200 @4ztran 0 @4center 3.149 -55.332 45.374 @4matrix -0.656322 0.461103 0.597181 -0.217658 -0.873576 0.435303 0.722403 0.155717 0.673710 @5viewid {binding site} @5zoom 2.86 @5zslab 160 @5ztran 0 @5center 8.034 -77.133 54.930 @5matrix 0.391275 -0.841791 0.371875 0.572161 -0.093977 -0.814739 0.720788 0.531559 0.444869 @master {Calphas} @master {CDRs} @master {SS} @master {Calphas2} @master {axes} @master {molec} @group {1igt} animate @subgroup {light ch 1} dominant @vectorlist {Calphas} color= cyan master= {Calphas} master= {molec} { ca asp a 1 }P 1.649 -84.304 45.569 {"}1.649 -84.304 45.569 { ca ile a 2 }-0.861 -83.420 48.270 { ca val a 3 }-2.524 -80.212 47.174 { ca leu a 4 }-3.913 -78.072 49.981 { ca thr a 5 }-7.110 -75.985 49.474 { ca gln a 6 }-7.379 -72.842 51.537 { ca ser a 7 }-10.771 -71.152 51.476 { ca pro a 8 }-12.014 -68.592 50.934 { ca ser a 9 }-9.551 -66.586 48.873 { ca ser a 10 }-10.179 -63.201 50.522 { ca leu a 11 }-12.273 -61.884 53.386 { ca ser a 12 }-13.426 -58.624 54.907 { ca ala a 13 }-14.773 -58.129 58.413 { ca ser a 14 }-15.005 -55.478 61.108 { ca leu a 15 }-12.507 -55.005 63.925 { ca gly a 16 }-13.047 -57.288 66.902 { ca asp a 17 }-14.821 -59.840 64.743 { ca thr a 18 }-13.921 -63.492 65.023 { ca ile a 19 }-13.192 -65.039 61.610 { ca thr a 20 }-12.414 -68.555 60.368 { ca ile a 21 }-10.068 -69.462 57.531 { ca thr a 22 }-9.855 -73.098 56.465 { ca cys a 23 }-7.613 -75.563 54.636 { ca his a 24 }-8.274 -78.981 53.190 { ca ala a 25 }-6.024 -81.655 51.933 { ca ser a 26 }-6.230 -84.300 49.274 { ca gln a 27 }-4.451 -87.020 51.273 { ca asn a 28 }-4.451 -87.331 55.094 { ca ile a 29 }-1.718 -85.208 56.766 { ca asn a 30 }-2.500 -86.160 60.343 { ca val a 31 }-1.722 -82.968 62.169 { ca trp a 32 }1.213 -81.650 60.179 { ca leu a 33 }-0.135 -78.217 59.268 { ca ser a 34 }1.445 -74.833 59.704 { ca trp a 35 }-0.072 -71.362 59.368 { ca tyr a 36 }1.855 -68.332 58.178 { ca gln a 37 }1.079 -64.632 58.173 { ca gln a 38 }2.409 -62.261 55.490 { ca lys a 39 }1.515 -58.601 56.044 { ca pro a 40 }1.833 -56.677 52.720 { ca gly a 41 }5.520 -56.148 52.146 { ca asn a 42 }7.106 -57.842 55.184 { ca ile a 43 }8.168 -61.533 55.184 { ca pro a 44 }5.997 -64.415 56.392 { ca lys a 45 }6.237 -65.274 60.045 { ca leu a 46 }5.271 -68.632 61.488 { ca leu a 47 }1.964 -68.470 63.372 { ca ile a 48 }1.050 -72.075 64.171 { ca tyr a 49 }2.580 -75.491 63.772 { ca lys a 50 }1.289 -78.969 64.554 { ca ala a 51 }-2.254 -77.805 63.774 { ca ser a 52 }-2.909 -76.063 67.082 { ca asn a 53 }0.527 -75.316 68.441 { ca leu a 54 }0.881 -71.566 68.651 { ca his a 55 }4.327 -70.167 67.887 { ca thr a 56 }6.147 -67.669 70.097 { ca gly a 57 }4.628 -64.189 70.074 { ca val a 58 }1.251 -65.172 68.620 { ca pro a 59 }-1.230 -63.422 70.950 { ca ser a 60 }-3.838 -65.857 72.307 { ca arg a 61 }-6.457 -64.507 69.860 { ca phe a 62 }-5.113 -66.827 67.128 { ca ser a 63 }-6.336 -70.398 67.276 { ca gly a 64 }-5.435 -73.312 65.057 { ca ser a 65 }-7.368 -76.543 64.983 { ca gly a 66 }-8.409 -79.551 62.972 { ca ser a 67 }-6.983 -82.970 62.053 { ca gly a 68 }-6.665 -85.331 59.112 { ca thr a 69 }-7.690 -83.326 56.060 { ca gly a 70 }-9.459 -80.204 57.232 { ca phe a 71 }-7.819 -77.599 59.431 { ca thr a 72 }-8.908 -74.168 60.408 { ca leu a 73 }-7.256 -71.036 61.719 { ca thr a 74 }-9.347 -68.670 63.787 { ca ile a 75 }-8.717 -65.095 64.816 { ca ser a 76 }-10.671 -63.417 67.597 { ca ser a 77 }-10.986 -59.648 68.084 { ca leu a 78 }-9.293 -58.689 64.832 { ca gln a 79 }-6.454 -56.380 65.773 { ca pro a 80 }-5.190 -54.122 62.900 { ca glu a 81 }-1.859 -55.996 62.704 { ca asp a 82 }-3.658 -59.092 61.444 { ca ile a 83 }-4.322 -57.709 57.982 { ca ala a 84 }-2.116 -59.949 55.904 { ca thr a 85 }-2.382 -63.019 53.771 { ca tyr a 86 }-2.506 -66.397 55.464 { ca tyr a 87 }-1.263 -69.638 54.024 { ca cys a 88 }-1.457 -73.133 55.437 { ca gln a 89 }1.086 -75.795 54.559 { ca gln a 90 }1.123 -79.528 55.060 { ca gly a 91 }4.275 -81.081 56.376 { ca gln a 92 }3.271 -84.746 56.236 { ca ser a 93 }5.232 -85.620 53.142 { ca tyr a 94 }7.374 -84.322 50.295 { ca pro a 95 }7.101 -82.069 48.509 { ca leu a 96 }6.085 -79.410 50.984 { ca thr a 97 }3.111 -77.615 49.547 { ca phe a 98 }1.210 -74.516 50.612 { ca gly a 99 }-2.437 -73.813 50.137 { ca gly a 100 }-2.702 -70.802 47.881 { ca gly a 101 }-3.558 -68.076 50.392 { ca thr a 102 }-6.404 -66.138 51.987 { ca lys a 103 }-6.097 -62.374 52.043 { ca leu a 104 }-7.571 -60.291 54.835 { ca glu a 105 }-9.449 -57.016 54.238 { ca ile a 106 }-10.801 -54.634 56.907 { ca lys a 107 }-14.375 -53.366 56.557 { ca arg a 108 }-14.979 -49.593 56.731 { ca ala a 109 }-17.746 -47.040 56.038 { ca asp a 110 }-18.118 -46.321 52.334 { ca ala a 111 }-16.145 -43.375 50.903 { ca ala a 112 }-16.350 -41.262 47.783 { ca pro a 113 }-13.427 -41.507 45.331 { ca thr a 114 }-11.651 -38.256 44.560 { ca val a 115 }-11.079 -38.376 40.806 { ca ser a 116 }-8.678 -36.340 38.752 { ca ile a 117 }-7.918 -36.283 35.071 { ca phe a 118 }-4.555 -35.423 33.599 { ca pro a 119 }-3.928 -34.405 29.959 { ca pro a 120 }-0.685 -35.701 28.433 { ca ser a 121 }2.459 -33.775 29.240 { ca ser a 122 }3.901 -31.463 26.604 { ca glu a 123 }7.106 -33.360 27.258 { ca gln a 124 }5.390 -36.597 26.211 { ca leu a 125 }3.691 -35.122 23.157 { ca thr a 126 }7.082 -34.016 21.844 { ca ser a 127 }8.048 -37.686 22.199 { ca gly a 128 }5.195 -38.933 20.017 { ca gly a 129 }2.653 -40.511 22.335 { ca ala a 130 }-0.213 -39.425 24.539 { ca ser a 131 }-1.284 -40.741 27.887 { ca val a 132 }-4.327 -39.352 29.636 { ca val a 133 }-4.278 -40.415 33.263 { ca cys a 134 }-7.100 -40.484 35.692 { ca phe a 135 }-6.685 -40.892 39.461 { ca leu a 136 }-9.567 -42.366 41.466 { ca asn a 137 }-8.114 -41.859 44.947 { ca asn a 138 }-9.201 -42.806 48.490 { ca phe a 139 }-12.368 -44.868 48.283 { ca tyr a 140 }-14.176 -47.954 49.555 { ca pro a 141 }-15.380 -50.568 48.638 { ca lys a 142 }-12.845 -51.773 46.083 { ca asp a 143 }-15.637 -52.437 43.603 { ca ile a 144 }-15.610 -49.581 41.108 { ca asn a 145 }-15.689 -49.348 37.352 { ca val a 146 }-14.173 -46.657 35.256 { ca lys a 147 }-14.588 -46.107 31.545 { ca trp a 148 }-12.983 -43.585 29.228 { ca lys a 149 }-14.946 -41.593 26.663 { ca ile a 150 }-13.403 -39.632 23.802 { ca asp a 151 }-15.651 -37.237 21.846 { ca gly a 152 }-19.220 -37.028 23.049 { ca ser a 153 }-19.485 -40.321 24.942 { ca glu a 154 }-17.620 -42.976 22.921 { ca arg a 155 }-16.068 -45.733 25.075 { ca gln a 156 }-12.587 -47.222 24.493 { ca asn a 157 }-10.798 -50.505 25.402 { ca gly a 158 }-7.025 -49.866 25.211 { ca val a 159 }-6.554 -48.938 28.891 { ca leu a 160 }-4.122 -49.873 31.688 { ca asn a 161 }-5.581 -50.031 35.196 { ca ser a 162 }-3.972 -50.450 38.584 { ca trp a 163 }-5.322 -50.447 42.159 { ca thr a 164 }-3.396 -50.444 45.406 { ca asp a 165 }-3.821 -52.697 48.445 { ca gln a 166 }-6.077 -51.460 51.228 { ca asp a 167 }-4.243 -48.497 52.740 { ca ser a 168 }-3.060 -48.910 56.313 { ca lys a 169 }-4.356 -45.632 57.787 { ca asp a 170 }-7.420 -44.716 55.688 { ca ser a 171 }-8.427 -48.340 55.056 { ca thr a 172 }-9.281 -47.125 51.544 { ca tyr a 173 }-8.140 -48.029 48.034 { ca ser a 174 }-6.865 -46.047 45.088 { ca met a 175 }-6.659 -46.576 41.347 { ca ser a 176 }-4.892 -45.126 38.361 { ca ser a 177 }-6.483 -45.678 34.980 { ca thr a 178 }-4.423 -44.633 31.987 { ca leu a 179 }-5.486 -44.302 28.348 { ca thr a 180 }-2.527 -44.365 25.943 { ca leu a 181 }-2.828 -43.013 22.370 { ca thr a 182 }-0.576 -41.760 19.607 { ca lys a 183 }-0.048 -37.980 19.331 { ca asp a 184 }-1.904 -37.806 16.049 { ca glu a 185 }-4.785 -40.002 17.273 { ca tyr a 186 }-4.929 -37.895 20.421 { ca glu a 187 }-5.049 -34.813 18.189 { ca arg a 188 }-7.994 -35.977 16.065 { ca his a 189 }-10.402 -35.433 18.959 { ca asn a 190 }-11.439 -32.696 21.339 { ca ser a 191 }-13.040 -34.014 24.551 { ca tyr a 192 }-11.812 -36.694 26.992 { ca thr a 193 }-13.803 -38.098 29.884 { ca cys a 194 }-13.023 -40.391 32.761 { ca glu a 195 }-16.314 -41.838 34.025 { ca ala a 196 }-16.522 -43.582 37.373 { ca thr a 197 }-19.332 -45.733 38.744 { ca his a 198 }-19.400 -46.567 42.460 { ca lys a 199 }-21.749 -47.593 45.289 { ca thr a 200 }-21.302 -44.232 46.998 { ca ser a 201 }-23.199 -42.337 44.297 { ca thr a 202 }-26.122 -43.111 42.028 { ca ser a 203 }-24.987 -40.692 39.339 { ca pro a 204 }-21.559 -41.602 37.832 { ca ile a 205 }-18.729 -39.360 39.003 { ca val a 206 }-17.333 -37.673 35.899 { ca lys a 207 }-14.347 -35.424 35.236 { ca ser a 208 }-13.732 -34.186 31.707 { ca phe a 209 }-11.306 -31.923 29.896 { ca asn a 210 }-11.272 -30.358 26.402 { ca arg a 211 }-7.992 -30.284 24.407 { ca asn a 212 }-9.152 -26.915 23.014 { ca glu a 213 }-6.822 -25.030 25.385 { ca cys a 214 }-4.047 -27.327 26.666 @vectorlist {CDRs} color= yellowtint master= {CDRs} master= {molec} { ca ile a 29 }P -1.718 -85.208 56.766 { ca asn a 30 }-2.500 -86.160 60.343 { ca val a 31 }-1.722 -82.968 62.169 { ca trp a 32 }1.213 -81.650 60.179 { ca leu a 33 }-0.135 -78.217 59.268 { ca tyr a 49 }P 2.580 -75.491 63.772 { ca lys a 50 }1.289 -78.969 64.554 { ca ala a 51 }-2.254 -77.805 63.774 { ca ser a 52 }-2.909 -76.063 67.082 { ca asn a 53 }0.527 -75.316 68.441 { ca gly a 91 }P 4.275 -81.081 56.376 { ca gln a 92 }3.271 -84.746 56.236 { ca ser a 93 }5.232 -85.620 53.142 { ca tyr a 94 }7.374 -84.322 50.295 { ca pro a 95 }7.101 -82.069 48.509 @vectorlist {SS} color= green master= {SS} master= {molec} { ca cys a 23 }P -7.613 -75.563 54.636 { cb cys a 23 }-6.146 -75.500 55.049 { sg cys a 23 }-5.203 -74.368 53.988 { ca cys a 88 }P -1.457 -73.133 55.437 { cb cys a 88 }-2.753 -73.898 55.597 { sg cys a 88 }-3.253 -74.904 54.165 { ca cys a 134 }P -7.100 -40.484 35.692 { cb cys a 134 }-8.397 -40.915 35.051 { sg cys a 134 }-9.810 -40.082 35.808 { ca cys a 194 }P -13.023 -40.391 32.761 { cb cys a 194 }-11.843 -39.952 33.616 { sg cys a 194 }-11.369 -41.043 34.965 { ca cys a 214 }P -4.047 -27.327 26.666 { cb cys a 214 }-3.829 -27.305 28.199 { sg cys a 214 }-2.887 -25.901 28.930 { sg cys a 23 }P -5.203 -74.368 53.988 { sg cys a 88 }-3.253 -74.904 54.165 { sg cys a 134 }P -9.810 -40.082 35.808 { sg cys a 194 }-11.369 -41.043 34.965 @subgroup {heavy ch 1} dominant @vectorlist {Calphas} color= purple master= {Calphas} master= {molec} { ca glu b 1 }P 19.722 -62.606 66.868 {"}19.722 -62.606 66.868 { ca val b 2 }18.642 -65.363 64.490 { ca lys b 3 }18.564 -63.689 61.104 { ca leu b 4 }18.790 -65.071 57.586 { ca gln b 5 }20.278 -62.896 54.879 { ca glu b 6 }20.130 -64.599 51.511 { ca ser b 7 }21.503 -62.401 48.752 { ca gly b 8 }22.762 -62.492 45.187 { ca gly b 9 }20.685 -62.963 42.067 { ca gly b 10 }19.510 -60.095 39.915 { ca leu b 11 }18.284 -60.611 36.358 { ca val b 12 }19.253 -63.306 33.899 { ca gln b 13 }17.882 -64.483 30.575 { ca pro b 14 }16.443 -67.976 30.044 { ca gly b 15 }18.761 -71.003 29.938 { ca gly b 16 }21.168 -69.111 32.169 { ca ser b 17 }22.421 -69.887 35.660 { ca leu b 18 }22.664 -68.058 39.015 { ca lys b 19 }24.096 -68.911 42.460 { ca leu b 20 }21.992 -68.006 45.493 { ca ser b 21 }23.723 -67.534 48.860 { ca cys b 22 }21.959 -67.495 52.236 { ca ala b 23 }23.724 -66.083 55.259 { ca thr b 24 }22.721 -67.519 58.640 { ca ser b 25 }23.519 -65.920 62.001 { ca gly b 26 }22.359 -66.387 65.585 { ca phe b 27 }22.222 -70.177 65.935 { ca thr b 28 }24.207 -73.395 65.702 { ca phe b 29 }23.537 -73.464 61.948 { ca ser b 30 }25.326 -76.818 61.809 { ca asp b 31 }22.392 -78.513 63.589 { ca tyr b 32 }19.368 -77.530 61.443 { ca tyr b 33 }17.823 -78.634 58.130 { ca met b 34 }17.339 -75.827 55.626 { ca tyr b 35 }14.708 -74.972 53.041 { ca trp b 36 }14.650 -72.825 49.959 { ca val b 37 }11.210 -71.421 49.253 { ca arg b 38 }10.074 -69.234 46.364 { ca gln b 39 }7.041 -66.961 46.086 { ca thr b 40 }6.082 -65.995 42.498 { ca pro b 41 }4.922 -62.466 41.509 { ca glu b 42 }1.382 -63.851 41.653 { ca lys b 43 }1.991 -64.217 45.449 { ca arg b 44 }1.802 -68.052 45.433 { ca leu b 45 }4.288 -70.049 47.569 { ca glu b 46 }6.440 -72.943 46.302 { ca trp b 47 }8.869 -75.181 48.176 { ca val b 48 }12.101 -75.132 46.202 { ca ala b 49 }14.436 -77.366 48.205 { ca tyr b 50 }15.485 -79.015 51.450 { ca ile b 51 }18.873 -80.120 52.742 { ca ser b 52 }20.108 -82.476 55.480 { ca asn b 52a}21.973 -81.478 58.661 { ca gly b 53 }25.371 -82.260 57.143 { ca gly b 54 }24.420 -82.410 53.478 { ca gly b 55 }24.139 -85.736 51.674 { ca ser b 56 }20.382 -86.071 52.030 { ca thr b 57 }18.775 -83.443 49.783 { ca tyr b 58 }15.357 -83.147 48.195 { ca tyr b 59 }13.983 -81.100 45.316 { ca pro b 60 }10.405 -80.908 44.010 { ca asp b 61 }9.996 -82.510 40.574 { ca thr b 62 }9.815 -79.035 38.997 { ca val b 63 }13.345 -78.050 40.021 { ca lys b 64 }14.712 -81.617 40.112 { ca gly b 65 }17.748 -81.760 37.825 { ca arg b 66 }18.060 -77.983 37.562 { ca phe b 67 }18.678 -77.066 41.166 { ca thr b 68 }21.358 -77.941 43.650 { ca ile b 69 }20.916 -76.878 47.285 { ca ser b 70 }24.059 -76.912 49.399 { ca arg b 71 }25.674 -75.688 52.580 { ca asp b 72 }29.035 -74.957 54.163 { ca asn b 73 }28.715 -75.523 57.908 { ca ala b 74 }31.491 -72.971 58.498 { ca lys b 75 }30.720 -69.693 56.759 { ca asn b 76 }27.149 -70.293 57.979 { ca thr b 77 }25.778 -70.195 54.439 { ca leu b 78 }22.997 -72.048 52.654 { ca tyr b 79 }23.246 -72.033 48.852 { ca leu b 80 }21.118 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ca leu b 82 }-14.389 39.628 4.330 { ca ser b 82a}-11.964 42.496 3.808 { ca ser b 82b}-9.184 43.178 6.327 { ca leu b 82c}-8.621 39.579 7.337 { ca thr b 83 }-6.997 39.274 10.719 { ca ser b 84 }-5.701 35.702 11.195 { ca asp b 85 }-8.158 35.494 14.075 { ca asp b 86 }-11.023 35.362 11.558 { ca ser b 87 }-10.201 31.822 10.520 { ca ala b 88 }-13.308 29.695 10.961 { ca val b 89 }-16.283 28.111 9.204 { ca tyr b 90 }-19.086 30.477 8.407 { ca tyr b 91 }-22.723 29.528 8.566 { ca cys b 92 }-25.719 31.377 7.297 { ca val b 93 }-29.104 31.266 8.978 { ca arg b 94 }-32.317 33.224 8.828 { ca glu b 95 }-34.290 34.818 11.671 { ca gly b 96 }-37.756 33.868 12.987 { ca glu b 97 }-35.285 32.777 15.730 { ca val b 98 }-32.358 31.590 13.545 { ca pro b 101 }-33.862 28.159 12.479 { ca tyr b 102 }-32.225 27.066 9.209 { ca trp b 103 }-28.456 27.099 9.204 { ca gly b 104 }-26.509 26.163 6.100 { ca gln b 105 }-23.573 23.768 5.691 { ca gly b 106 }-20.645 26.121 6.179 { ca thr b 107 }-17.468 27.106 4.360 { ca thr b 108 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}27.307 -28.166 0.380 { ca thr b 354 }24.703 -30.065 -1.619 { ca ile b 355 }23.650 -29.633 -5.245 { ca ser b 357 }20.265 -31.362 -5.879 { ca lys b 358 }18.480 -30.126 -9.039 { ca thr b 359 }16.559 -27.236 -10.636 { ca lys b 360 }13.130 -28.347 -9.377 { ca gly b 361 }9.628 -28.200 -10.743 { ca lys b 363 }7.719 -30.005 -13.481 { ca pro b 364 }9.963 -30.408 -16.613 { ca arg b 365 }8.912 -28.668 -19.839 { ca ala b 366 }10.290 -29.670 -23.242 { ca pro b 367 }11.701 -26.969 -25.571 { ca gln b 368 }9.632 -26.405 -28.726 { ca val b 369 }12.959 -26.119 -30.653 { ca tyr b 370 }12.760 -24.632 -34.139 { ca thr b 371 }15.067 -23.644 -36.960 { ca ile b 372 }15.485 -20.393 -38.871 { ca pro b 373 }17.731 -20.241 -41.947 { ca pro b 374 }19.666 -17.046 -42.883 { ca pro b 375 }17.461 -13.917 -43.366 { ca lys b 376 }16.646 -12.239 -46.711 { ca glu b 377 }18.648 -9.112 -45.932 { ca gln b 378 }21.748 -11.216 -45.204 { ca met b 381 }22.168 -13.285 -48.347 { ca ala b 382 }24.961 -11.493 -50.200 { ca lys b 383 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32.130 { ca thr c 197 }-11.027 -29.787 34.107 { ca his c 198 }-10.932 -29.782 37.912 { ca lys c 199 }-13.756 -29.151 40.398 { ca thr c 200 }-12.625 -25.776 41.778 { ca ser c 201 }-13.230 -23.786 38.601 { ca thr c 202 }-16.623 -24.665 37.087 { ca ser c 203 }-14.956 -23.604 33.848 { ca pro c 204 }-11.979 -25.462 32.309 { ca ile c 205 }-8.382 -24.410 32.800 { ca val c 206 }-6.491 -24.206 29.547 { ca lys c 207 }-2.976 -23.267 28.468 { ca ser c 208 }-1.276 -23.852 25.129 { ca phe c 209 }0.823 -22.475 22.272 { ca asn c 210 }1.154 -21.841 18.552 { ca arg c 211 }4.386 -23.703 17.732 { ca asn c 212 }5.428 -20.656 15.692 { ca glu c 213 }6.922 -19.310 18.933 { ca cys c 214 }10.583 -18.818 17.946 @vectorlist {CDRs} color= yellowtint master= {CDRs} master= {molec} { ca val c 29 }P -7.263 -65.099 65.737 { ca val c 30 }-7.606 -64.324 69.437 { ca thr c 31 }-6.068 -60.837 69.610 { ca tyr c 32 }-2.930 -61.639 67.553 { ca val c 33 }-2.952 -58.714 65.156 { ca tyr c 49 }P 0.473 -55.152 69.037 { ca gly c 50 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