@text 
Kinemage Supplement to Branden & Tooze "Introduction to Protein Structure"
Chapter 14 -  RECEPTOR FAMILIES

		Contents of file C14RECEP.KIN:
Kin.1- V-src oncogene: P-Tyr recognition domain of the tyrosine kinase (Fig. 14.3b)
Kin.2- Ras p21 oncogene: overview and binding of GTP analogue (Fig. 14.7, 14.8)
Kin.3- Complex of human growth hormone with its receptor - Calpha backbone

	Most cell-surface receptors are made up of extracellular binding portions, transmembrane segment(s), and cytosolic signalling portions, each of which is often composed of multiple domains.  As explained in the text, much of what we know about these families of receptor molecules has come from analysis of their sequences, which often reveal that certain domains are repeated within a receptor or are related to other domains in proteins of known structure.  For instance, the EGF receptor has two extracellular binding domains related to the serine proteases called kallikreins, and a cytosolic part that acts as a tyrosine kinase, with one domain related to cyclic-AMP-dependent protein kinase.  The V-src oncogene is a cytosolic protein very similar to the cytosolic part of the EGF receptor.
	Some new xray structures have been solved recently which show receptor domains not homologous to previously-known structures, including the P-Tyr recognition domain of V-src, shown in Kinemage 1.  It is a small alpha/beta domain, which binds the recognition peptide at one edge of the beta sheet.  Non-specific Hbonds to the backbone are shown, as well as an extensive set of Hbonds and charge interactions that specifically recognize the phosphotyrosine (View3).  For the Tyr kinase activity, then, this domain provides the "specificity pocket", while the catalytic activity is provided by the domain homologous to cAMP-dependent protein kinase.

	G proteins act as amplifiers of the signals from transmembrane receptors; none of their structures are known, but they are related to the GTP-binding proto-oncogene called ras p21, whose structure is shown in Kinemage 2.  View1 is an overview similar to Fig. 14.7, with the backbone in white, the bound GTP analogue in pink, and the Mg++ in yellow; View2 is from one edge of the twisted beta sheet of this alpha/beta protein.  Gly 12 and Gly 13, labeled in green, are two major sites of mutations that convert this enzyme into an oncogene - they are located in a critical part of one of the main GTP-binding loops.  To see details of interactions at the binding site (like Fig. 14.8), choose View3 and turn on "interact.", which shows sidechains in cyan and Hbonds in purple.  To measure the phi and psi angles of the Gly residues at the mutation sites, choose View4, turn on "measures" on the "Other" pulldown menu, and click on successive mainchain atoms.  Both glycines are in tightly constrained positions, and Gly 13 is in a lefthanded 3-10 conformation (with positive phi) forbidden for other amino acids.  When these Gly's mutate, the GTPase activity of ras is reduced and it stays in the "on" state more of the time.

	Kinemage 3 shows the first x-ray structure of a cell-surface receptor complexed with its ligand - human growth hormone (a 4-helix bundle, in yellowtint) and the extracellular portion of its receptor (cyan and skyblue).  The receptor has two similar chains, each with two domains related to immunoglobulins.  The mode of binding is quite different from an immunoglobulin, however, with the HGH between the two chains and interacting with all 4 domains.  Only Calpha coordinates are available so far for this structure.  Views 1, 2, and 3 show the complex from the front, side, and top, respectively; the cell membrane would be at the bottom in Views 1 and 2.

@kinemage 1
@caption (B&T Fig. 14.3b)
Structure of the P-Tyr recognition domain of the tyrosine kinase portion of the V-src oncogene.  Calphas of the sh-2 domain are in white, and the bound peptide is in pink, with the phosphate on the Tyr in hotpink.  (from PDB file 1SHA; ref: Waksman et al., 1992, Nature 358: 646)
@onewidth 
@multibins 3
@zoom 1.0
@zslab 150
@center 47.238 31.688 3.472
@matrix
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@2zoom 1.13
@2zslab 130
@2center 48.472 29.821 0.901
@2matrix
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@3zoom 1.77
@3zslab 100
@3center 51.298 28.01 -3.773
@3matrix
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@group {V-src sh-2} 
@vectorlist {Calphas} color= white 
{ca ala a 2}P 39.528 23.448 12.431
{ca glu a 3}37.799 22.736 9.098
{ca glu a 4}35.876 26.032 8.382
{ca trp a 5}39.097 27.502 6.877
{ca tyr a 6}39.64 24.393 4.631
{ca phe a 7}38.261 25.25 1.221
{ca gly a 8}39.582 22.19 -0.629
{ca lys a 9}39.717 22.407 -4.377
{ca ile a 10}39.229 26.049 -5.204
{ca thr a 11}41.244 27.913 -7.821
{ca arg a 12}43.696 30.699 -7.084
{ca arg a 13}41.253 33.02 -8.947
{ca glu a 14}38.32 32.153 -6.758
{ca ser a 15}40.338 32.366 -3.471
{ca glu a 16}41.407 35.896 -4.509
{ca arg a 17}37.768 36.829 -5.322
{ca leu a 18}36.72 35.671 -1.849
{ca leu a 19}39.615 37.153 0.05
{ca leu a 20}39.688 40.534 -1.66
{ca asn a 21}36.307 41.366 -0.201
{ca pro a 22}36.961 44.848 1.428
{ca glu a 23}35.046 43.832 4.503
{ca asn a 24}37.598 41.107 5.424
{ca pro a 25}40.185 42.21 7.989
{ca arg a 26}43.808 42.037 7.076
{ca gly a 27}45.056 38.47 7.667
{ca thr a 28}41.767 36.832 6.602
{ca phe a 29}42.756 33.425 5.237
{ca leu a 30}41.879 30.108 3.756
{ca val a 31}43.69 26.867 3.065
{ca arg a 32}43.097 25.199 -0.259
{ca glu a 33}44.732 22.559 -2.488
{ca ser a 34}47.389 23.88 -4.836
{c ser a 34}46.892 23.414 -6.221
{o ser a 34}46.832 22.216 -6.511
{c ser a 34}P 46.892 23.414 -6.221
{n glu a 35}46.535 24.359 -7.098
{ca glu a 35}46.239 24.062 -8.491
{c glu a 35}47.451 23.513 -9.22
{o glu a 35}47.37 22.448 -9.835
{c glu a 35}P 47.451 23.513 -9.22
{n thr a 36}48.581 24.23 -9.131
{ca thr a 36}49.787 23.869 -9.897
{ca thr a 37}51.691 21.619 -7.46
{ca lys a 38}49.883 18.346 -7.016
{ca gly a 39}49.91 17.1 -3.402
{ca ala a 40}50.669 20.571 -2.
{ca tyr a 41}48.257 22.921 -0.256
{ca cys a 42}48.131 26.658 -0.242
{ca leu a 43}47.612 29.201 2.543
{ca ser a 44}45.991 32.276 0.954
{ca val a 45}45.928 35.47 3.05
{ca ser a 46}44.521 38.966 2.522
{ca asp a 47}47.053 41.717 2.999
{ca phe a 48}47.296 45.488 2.765
{ca asp a 49}50.044 47.593 1.31
{ca asn a 50}49.634 51.38 1.259
{ca ala a 51}50.508 51.293 -2.461
{ca lys a 52}48.98 47.999 -3.656
{ca gly a 53}46.127 48.221 -1.222
{ca leu a 54}44.193 45.036 -0.958
{ca asn a 55}46.079 42.12 -2.284
{ca val a 56}46.419 38.396 -1.537
{ca lys a 57}49.572 36.518 -0.755
{c lys a 57}49.252 35.016 -0.711
{o lys a 57}48.342 34.601 0.017
{c lys a 57}P 49.252 35.016 -0.711
{n his a 58}49.97 34.208 -1.472
{ca his a 58}49.768 32.771 -1.471
{c his a 58}51.021 32.104 -0.995
{o his a 58}52.105 32.392 -1.457
{c his a 58}P 51.021 32.104 -0.995
{n tyr a 59}50.899 31.198 -0.027
{ca tyr a 59}52.023 30.487 0.571
{c tyr a 59}51.795 29. 0.308
{o tyr a 59}50.826 28.406 0.815
{c tyr a 59}P 51.795 29. 0.308
{n lys a 60}52.709 28.408 -0.477
{ca lys a 60}52.605 26.977 -0.73
{ca ile a 61}52.324 24.369 1.989
{ca arg a 62}54.543 21.385 1.228
{ca lys a 63}54.388 17.934 2.699
{ca leu a 64}57.64 16.306 3.873
{ca asp a 65}57.913 12.619 2.797
{ca ser a 66}58.752 11.995 6.392
{ca gly a 67}55.114 13.268 6.778
{ca gly a 68}55.109 16.872 8.08
{ca phe a 69}53.782 20.147 6.625
{ca tyr a 70}55.767 23.349 6.149
{ca ile a 71}55.825 26.697 4.47
{ca thr a 72}59.436 27.497 5.363
{c thr a 72}60.086 26.243 5.949
{o thr a 72}59.585 25.659 6.93
{c thr a 72}P 60.086 26.243 5.949
{n ser a 73}61.222 25.869 5.332
{ca ser a 73}61.92 24.661 5.695
{ca arg a 74}62.78 25.338 9.282
{ca thr a 75}59.383 25.221 10.856
{ca gln a 76}57.498 22.011 10.262
{ca phe a 77}54.078 20.942 11.571
{ca ser a 78}52.528 17.561 12.142
{ca ser a 79}49.164 18.722 10.693
{ca leu a 80}47.482 21.598 8.767
{ca gln a 81}45.464 22.383 11.89
{ca gln a 82}48.648 22.796 13.973
{ca leu a 83}50.152 25.024 11.222
{ca val a 84}46.982 27.2 11.201
{ca ala a 85}47.05 27.5 15.062
{ca tyr a 86}50.666 28.506 14.889
{ca tyr a 87}50.448 31.244 12.253
{ca ser a 88}47.294 32.591 13.913
{ca lys a 89}49.566 33.441 16.842
{ca his a 90}52.844 34.397 15.144
{ca ala a 91}53.295 35.772 11.599
{ca asp a 92}56.898 34.481 11.68
{ca gly a 93}57.746 35.14 8.081
{ca leu a 94}54.136 35.577 6.701
{ca cys a 95}52.818 38.963 5.58
{ca his a 96}50.579 39.072 8.68
{ca arg a 97}49.257 36.788 11.349
{ca leu a 98}46.121 34.742 10.424
{ca thr a 99}43.014 36.392 11.704
{ca asn a 100}39.525 35.658 10.263
{ca val a 101}38.542 32.587 8.426
{ca cys a 102}37.353 33.596 4.959
{ca pro a 103}33.476 33.646 4.818
{ca thr a 104}31.495 30.772 3.428
@vectorlist {side ch} color=cyan
{ca arg a 32}P 43.097 25.199 -0.259
{cb arg a 32}42.628 26.221 -1.319
{cg arg a 32}43.786 27.132 -1.806
{cd arg a 32}43.285 28.118 -2.821
{ne arg a 32}44.353 29.027 -3.205
{cz arg a 32}45.23 28.803 -4.195
{nh1 arg a 32}45.16 27.655 -4.867
{cz arg a 32}P 45.23 28.803 -4.195
{nh2 arg a 32}46.182 29.713 -4.499
{ca ser a 34}P 47.389 23.88 -4.836
{cb ser a 34}48.886 23.629 -4.751
{og ser a 34}49.581 24.207 -5.853
{ca thr a 36}P 49.787 23.869 -9.897
{cb thr a 36}50.547 25.149 -10.223
{og1 thr a 36}50.695 25.842 -9.008
{cb thr a 36}P 50.547 25.149 -10.223
{cg2 thr a 36}49.824 26.012 -11.228
@group dominant {Hbonds}
@vectorlist {Hb} color=purple
{o his a 58}P U 52.695 32.604 -1.769
{n val b 202}U 53.941 33.05 -2.429
{nh2 arg a 32}P U 46.642 29.568 -5.006
{o2 po3 b 201}U 47.582 29.271 -6.04
{nh1 arg a 32}P U 45.688 27.445 -5.276
{o3 po3 b 201}U 46.709 27.038 -6.069
{og1 thr a 36}P U 50.185 26.288 -8.832
{o1 po3 b 201}U 49.158 27.184 -8.479
{og ser a 34}P U 49.573 24.907 -5.876
{oh tyr b 201}U 49.554 26.532 -5.928
{n ser a 73}P U 61.257 26.347 4.822
{oxt leu b 205}U 61.345 27.576 3.508
{n thr a 36}P U 48.594 24.91 -8.965
{o1 po3 b 201}U 48.635 26.95 -8.469
{n glu a 35}P U 46.721 25.013 -6.934
{o3 po3 b 201}U 47.051 26.174 -6.642
@group {peptide} 
@vectorlist {main ch} color= pinktint 
{n tyr b 201}P 52.607 32.503 -5.666
{n tyr b 201}52.607 32.503 -5.666
{ca tyr b 201}53.251 32.103 -4.431
{c tyr b 201}54.478 32.923 -4.05
{o tyr b 201}55.346 33.203 -4.886
{c tyr b 201}P 54.478 32.923 -4.05
{n val b 202}54.531 33.262 -2.741
{ca val b 202}55.657 33.95 -2.128
{c val b 202}56.779 32.918 -2.126
{o val b 202}56.586 31.881 -1.507
{c val b 202}P 56.779 32.918 -2.126
{n pro b 203}57.939 33.061 -2.818
{ca pro b 203}59.026 32.067 -2.808
{c pro b 203}59.684 32.037 -1.435
{o pro b 203}60.354 32.962 -1.01
{c pro b 203}P 59.684 32.037 -1.435
{n met b 204}59.341 31.016 -0.675
{ca met b 204}59.861 30.789 0.65
{c met b 204}60.881 29.673 0.56
{o met b 204}60.6 28.655 -0.067
{c met b 204}P 60.881 29.673 0.56
{n leu b 205}62.078 29.771 1.135
{ca leu b 205}62.982 28.659 1.339
{c leu b 205}62.464 27.814 2.491
{o leu b 205}63.17 26.906 2.918
{c leu b 205}P 62.464 27.814 2.491
{oxt leu b 205}61.38 28.054 2.998
@vectorlist {side ch} color= pink 
{ca tyr b 201}P 53.251 32.103 -4.431
{cb tyr b 201}53.713 30.66 -4.469
{cg tyr b 201}52.614 29.712 -4.87
{cd1 tyr b 201}51.674 29.373 -3.923
{ce1 tyr b 201}50.634 28.546 -4.294
{cz tyr b 201}50.6 28.116 -5.605
{oh tyr b 201}49.546 27.232 -5.951
{cg tyr b 201}P 52.614 29.712 -4.87
{cd2 tyr b 201}52.56 29.267 -6.195
{ce2 tyr b 201}51.532 28.437 -6.584
{cz tyr b 201}50.6 28.116 -5.605
{ca val b 202}P 55.657 33.95 -2.128
{cb val b 202}55.313 34.382 -0.701
{cg1 val b 202}56.538 34.996 -0.039
{cb val b 202}P 55.313 34.382 -0.701
{cg2 val b 202}54.204 35.437 -0.724
{ca pro b 203}P 59.026 32.067 -2.808
{cb pro b 203}59.952 32.513 -3.929
{cg pro b 203}59.822 34.012 -3.92
{cd pro b 203}58.309 34.212 -3.653
{n pro b 203}P 57.939 33.061 -2.818
{cd pro b 203}58.309 34.212 -3.653
{ca met b 204}P 59.861 30.789 0.65
{cb met b 204}58.794 30.286 1.614
{cg met b 204}57.686 31.249 1.883
{sd met b 204}58.385 32.606 2.829
{ce met b 204}57.347 32.626 4.26
{ca leu b 205}P 62.982 28.659 1.339
{cb leu b 205}64.335 29.289 1.516
{cg leu b 205}65.188 29.54 0.276
{cd1 leu b 205}64.413 30.325 -0.733
{cg leu b 205}P 65.188 29.54 0.276
{cd2 leu b 205}66.436 30.317 0.682
@vectorlist {PO4} color= hotpink 
{p po3 b 201}P 48.328 27.731 -6.865
{p po3 b 201}48.328 27.731 -6.865
{o1 po3 b 201}48.648 27.63 -8.303
{p po3 b 201}P 48.328 27.731 -6.865
{o2 po3 b 201}48.042 29.126 -6.547
{p po3 b 201}P 48.328 27.731 -6.865
{o3 po3 b 201}47.237 26.828 -6.478
{oh tyr b 201}P 49.546 27.232 -5.951
{p po3 b 201}48.328 27.731 -6.865
@kinemage 2
@caption (B&T Fig. 14.7, 14.8)
Structure of the proto-oncogene c-ras p21 (homologous to G proteins).  View1 is an overview like Fig. 14.7, with the backbone in white, the bound GTP analogue in pink, and the Mg++ in yellow; View2 is from one edge of the twisted beta sheet of this alpha/beta protein.  To see details of interactions at the binding site (like Fig. 14.8), choose View3 and turn on "interact."  (from PDB file 521P)
@onewidth 
@zoom 1.0
@zslab 140
@center 7.721 26.652 11.765
@matrix
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@2zoom 0.94 
@2zslab 130 
@2center 8.918 25.050 11.799 
@2matrix 
-.719302 .352891 -.598393 -.527648 .282766 .801019 .451877 .891915 -.01719
@3zoom 1.58
@3zslab 100
@3center 10.666 31.160 17.706
@3matrix
.011324 -.993476 -.11348 .57776 -.086125 .811651 -.816128 -.074754 .573015
@4zoom 2.8
@4zslab 130
@4center 8.013 29.455 21.39
@4matrix
.026221 -.962773 -.269038 .520515 -.216619 .825919 -.85345 -.161694 .495458
@group {ras p21} 
@subgroup dominant {backbone}
@vectorlist {main ch} color= white 
{ca gly 10}P 5.231 24.336 19.009
{c gly 10}5.192 25.053 20.355
{o gly 10}4.417 25.994 20.595
{c gly 10}P 5.192 25.053 20.355
{n ala 11}6.099 24.638 21.226
{ca ala 11}6.121 25.135 22.597
{c ala 11}6.44 26.625 22.711
{o ala 11}6.998 27.25 21.806
{c ala 11}P 6.44 26.625 22.711
{n gly 12}6.111 27.227 23.847
{ca gly 12}6.406 28.632 24.054
{c gly 12}7.892 28.95 23.964
{o gly 12}8.785 28.249 24.466
{c gly 12}P 7.892 28.95 23.964
{n gly 13}8.159 30.064 23.266
{ca gly 13}9.511 30.602 23.139
{c gly 13}10.436 29.95 22.108
{o gly 13}11.624 30.321 22.06
{c gly 13}P 10.436 29.95 22.108
{n val 14}9.961 28.991 21.286
{ca val 14}10.848 28.327 20.317
{c val 14}11.169 29.168 19.076
{o val 14}12.108 28.841 18.353
{c val 14}P 11.169 29.168 19.076
{n gly 15}10.423 30.264 18.834
{ca gly 15}10.666 31.16 17.706
{c gly 15}9.615 31.061 16.626
{o gly 15}9.915 31.403 15.491
{c gly 15}P 9.615 31.061 16.626
{n lys 16}8.395 30.591 16.916
{ca lys 16}7.331 30.521 15.913
{c lys 16}7.06 31.899 15.309
{o lys 16}7.02 32.044 14.086
{c lys 16}P 7.06 31.899 15.309
{n ser 17}6.913 32.942 16.135
{ca ser 17}6.661 34.295 15.649
{c ser 17}7.854 34.859 14.919
{o ser 17}7.653 35.446 13.868
{c ser 17}P 7.854 34.859 14.919
{n ala 18}9.072 34.687 15.444
{ca ala 18}10.253 35.199 14.769
{ca phe 28}P 14.528 39.413 13.223
{c phe 28}14.026 40.196 14.44
{o phe 28}14.528 41.255 14.786
{c phe 28}P 14.026 40.196 14.44
{n val 29}12.97 39.697 15.089
{ca val 29}12.467 40.313 16.294
{c val 29}13.127 39.606 17.476
{o val 29}13.245 38.376 17.605
{c val 29}P 13.127 39.606 17.476
{n asp 30}13.615 40.484 18.324
{ca asp 30}14.229 40.019 19.518
{ca ala 59}P 0.23 30.51 21.194
{c ala 59}0.928 29.21 21.608
{o ala 59}0.448 28.106 21.324
{c ala 59}P 0.928 29.21 21.608
{n gly 60}2.084 29.341 22.271
{ca gly 60}2.807 28.208 22.814
{ca ser 145}P 17.558 30.377 12.29
{c ser 145}16.758 31.602 11.849
{o ser 145}16.93 32.094 10.727
{c ser 145}P 16.758 31.602 11.849
{n ala 146}15.838 32.046 12.696
{ca ala 146}15.131 33.268 12.413
@vectorlist {Calphas} color= white 
{ca met 1}P -5.921 32.127 -6.684
{ca thr 2}-4.661 29.03 -4.859
{ca glu 3}-4.504 29.73 -1.135
{ca tyr 4}-2.425 27.654 1.358
{ca lys 5}-3.554 27.569 4.97
{ca leu 6}-0.418 27.011 7.064
{ca val 7}-0.333 26.787 10.852
{ca val 8}2.878 27.262 12.944
{ca val 9}2.779 25.234 16.245
{ca gly 10}5.231 24.336 19.009
{ca ala 18}P 10.253 35.199 14.769
{ca leu 19}10.225 32.667 11.837
{ca thr 20}6.888 34.015 10.529
{ca ile 21}7.945 37.704 10.795
{ca gln 22}11.33 36.983 9.179
{ca leu 23}9.381 35.475 6.194
{ca ile 24}6.682 38.198 5.953
{ca gln 25}8.52 41.38 7.066
{ca asn 26}12.198 40.642 6.628
{ca his 27}13.593 41.266 10.057
{ca phe 28}14.528 39.413 13.223
{ca asp 30}P 14.229 40.019 19.518
{ca glu 31}11.922 40.804 22.318
{ca tyr 32}9.597 39.196 24.685
{ca asp 33}6.128 39.2 23.141
{ca pro 34}3.949 36.07 23.788
{ca thr 35}1.421 35.32 21.033
{ca ile 36}-2.308 34.792 21.567
{ca glu 37}-3.059 34.221 17.889
{ca asp 38}-1.899 36.178 14.839
{ca ser 39}-2.691 35.658 11.133
{ca tyr 40}-0.607 36.889 8.196
{ca arg 41}-1.66 36.918 4.558
{ca lys 42}0.835 37.405 1.758
{ca gln 43}0.579 36.95 -2.047
{ca val 44}3.771 35.242 -3.311
{ca val 45}4.938 33.277 -6.419
{ca ile 46}6.274 29.795 -5.491
{ca asp 47}7.767 27.65 -8.426
{ca gly 48}5.93 29.961 -10.785
{ca glu 49}2.52 29.457 -9.143
{ca thr 50}0.901 32.697 -7.927
{ca cys 51}-0.566 31.959 -4.508
{ca leu 52}-1.573 33.397 -1.199
{ca leu 53}0.019 32.232 2.048
{ca asp 54}-2.476 32.445 4.884
{ca ile 55}-0.346 31.769 7.935
{ca leu 56}-1.642 31.341 11.49
{ca asp 57}0.815 32.014 14.219
{ca thr 58}-0.324 30.325 17.416
{ca ala 59}0.23 30.51 21.194
{ca gly 60}P 2.807 28.208 22.814
{ca gln 61}0.671 28.099 25.994
{ca glu 62}-2.008 25.527 26.927
{ca glu 63}-4.496 28.139 28.254
{ca tyr 64}-5.42 27.092 24.743
{ca ser 65}-5.617 23.23 25.127
{ca ala 66}-8.766 21.824 23.335
{ca met 67}-8.984 25.465 21.967
{ca arg 68}-6.322 24.217 19.467
{ca asp 69}-8.88 21.905 17.822
{ca gln 70}-10.451 24.609 15.759
{ca tyr 71}-7.329 25.873 14.03
{ca met 72}-5.958 22.393 13.563
{ca arg 73}-9.12 21.35 11.701
{ca thr 74}-8.813 24.24 9.219
{ca gly 75}-5.013 24.114 8.73
{ca glu 76}-3.914 22.363 5.546
{ca gly 77}-0.216 22.018 6.57
{ca phe 78}1.754 22.468 9.773
{ca leu 79}5.23 23.626 10.699
{ca cys 80}6.074 21.821 13.981
{ca val 81}8.73 23.956 15.604
{ca phe 82}11.195 23.202 18.442
{ca ala 83}14.407 24.963 19.569
{ca ile 84}17.714 23.07 19.299
{ca asn 85}18.794 24.394 22.72
{ca asn 86}15.553 23.303 24.483
{ca thr 87}15.095 19.553 25.026
{ca lys 88}11.552 19.842 26.535
{ca ser 89}10.325 21.666 23.309
{ca phe 90}11.68 18.751 21.262
{ca glu 91}9.863 16.146 23.407
{ca asp 92}6.65 18.216 23.265
{ca ile 93}6.559 17.749 19.452
{ca his 94}4.94 14.302 19.956
{ca gln 95}1.916 15.878 21.673
{ca tyr 96}1.276 18.417 18.826
{ca arg 97}1.699 15.65 16.247
{ca glu 98}-0.807 13.361 17.941
{ca gln 99}-3.343 16.104 18.468
{ca ile 100}-3.197 17.121 14.743
{ca lys 101}-3.613 13.487 13.637
{ca arg 102}-6.586 13.098 15.962
{ca val 103}-8.452 16.326 14.881
{ca lys 104}-7.804 15.755 11.14
{ca asp 105}-8.666 11.988 11.359
{ca ser 106}-5.47 11.174 9.442
{ca asp 107}-2.109 9.557 9.868
{ca asp 108}-0.43 11.664 7.216
{ca val 109}-1.009 15.354 7.4
{ca pro 110}1.297 17.783 5.384
{ca met 111}3.878 18.724 8.05
{ca val 112}7.545 19.763 8.348
{ca leu 113}9.632 19.332 11.535
{ca val 114}11.673 22.541 12.109
{ca gly 115}14.603 22.742 14.476
{ca asn 116}15.007 26.475 15.111
{ca lys 117}17.735 28.715 16.674
{ca cys 118}20.449 26.806 14.844
{ca asp 119}22.722 29.904 15.083
{ca leu 120}23.23 29.099 18.845
{ca ala 121}26.303 27.143 19.887
{ca ala 122}24.683 25.797 23.094
{ca arg 123}22.89 22.905 21.311
{ca thr 124}21.118 20.2 23.415
{ca val 125}19.133 18.324 20.647
{ca glu 126}21.487 16.568 18.124
{ca ser 127}20.426 16.938 14.493
{ca arg 128}20.667 13.154 14.145
{ca gln 129}18.032 12.519 16.787
{ca ala 130}15.611 15.044 15.21
{ca gln 131}16.267 13.529 11.739
{ca asp 132}15.467 10.038 13.173
{ca leu 133}12.213 11.39 14.624
{ca ala 134}11.241 13.016 11.331
{ca arg 135}12.088 9.828 9.438
{ca ser 136}9.757 7.841 11.77
{ca tyr 137}6.95 10.375 11.078
{ca gly 138}7.52 10.265 7.294
{ca ile 139}8.117 14.065 7.145
{ca pro 140}10.984 16.448 6.205
{ca tyr 141}13.336 17.791 8.89
{ca ile 142}14.636 21.355 8.376
{ca glu 143}16.979 23.404 10.611
{ca thr 144}16.422 27.169 10.754
{ca ser 145}17.558 30.377 12.29
{ca ala 146}P 15.131 33.268 12.413
{ca lys 147}18.15 35.351 13.486
{ca thr 148}20.248 34.735 10.3
{ca arg 149}17.268 33.815 7.994
{ca gln 150}18.926 30.402 7.273
{ca gly 151}16.357 27.835 6.296
{ca val 152}13.339 30.183 6.715
{ca glu 153}12.001 30.213 3.086
{ca asp 154}13.023 26.593 2.747
{ca ala 155}10.841 25.45 5.716
{ca phe 156}7.712 27.345 4.475
{ca tyr 157}8.148 26.463 0.798
{ca thr 158}8.836 22.727 1.522
{ca leu 159}5.533 22.754 3.506
{ca val 160}3.662 24.284 0.439
{ca arg 161}5.206 21.554 -1.767
{ca glu 162}4.054 18.877 0.722
{ca ile 163}0.426 20.175 0.542
{ca arg 164}0.77 20.163 -3.283
{ca gln 165}1.673 16.435 -3.337
{ca his 166}-0.982 15.296 -0.82
@subgroup dominant {interact.} off 
@vectorlist {sc} color= cyan 
{ca lys 16}P 7.331 30.521 15.913
{cb lys 16}6.014 30. 16.529
{cg lys 16}6.132 28.585 17.086
{cd lys 16}4.82 28.077 17.726
{ce lys 16}4.351 28.934 18.888
{nz lys 16}5.221 28.829 20.051
{ca ser 17}P 6.661 34.295 15.649
{cb ser 17}6.36 35.264 16.769
{og ser 17}5.083 34.853 17.204
{ca thr 35}P 1.421 35.32 21.033
{cb thr 35}1.73 34.518 19.751
{og1 thr 35}2.9 35.134 19.233
{cb thr 35}P 1.73 34.518 19.751
{cg2 thr 35}0.706 34.611 18.637
{ca asn 116}P 15.007 26.475 15.111
{cb asn 116}13.721 27.307 15.275
{cg asn 116}13.929 28.788 14.992
{od1 asn 116}14.47 29.205 13.972
{cg asn 116}P 13.929 28.788 14.992
{nd2 asn 116}13.565 29.644 15.94
{ca lys 117}P 17.735 28.715 16.674
{cb lys 117}17.391 28.706 18.214
{cg lys 117}16.026 29.272 18.611
{cd lys 117}15.932 29.64 20.097
{ce lys 117}14.551 30.217 20.38
{nz lys 117}14.491 30.647 21.772
{ca asp 119}P 22.722 29.904 15.083
{cb asp 119}22.268 31.374 14.888
{cg asp 119}21.153 31.785 15.835
{od1 asp 119}20.03 31.294 15.662
{cg asp 119}P 21.153 31.785 15.835
{od2 asp 119}21.407 32.596 16.721
{ca ser 145}P 17.558 30.377 12.29
{cb ser 145}19.069 30.768 12.308
{og ser 145}19.248 31.931 13.125
{ca lys 147}P 18.15 35.351 13.486
{cb lys 147}19.068 34.97 14.617
{cg lys 147}20.003 36.125 14.958
{cd lys 147}20.581 35.932 16.341
{ce lys 147}21.683 36.949 16.507
{nz lys 147}22.575 36.534 17.574
@vectorlist {bonds} color= purple 
{og1 thr 35}P U 3.479 34.74 19.227
{Mg mg 168}U 4.192 34.254 19.219
{Mg mg 168}P U 4.868 34.167 18.591
{og ser 17}U 4.986 34.546 17.826
{o2b gnp 167}P U 6.088 33.117 19.082
{Mg mg 168}U 5.379 33.518 19.152
{Mg mg 168}P U 4.59 33.557 19.818
{o2g gnp 167}U 4.384 33.213 20.507
{nz lys 16}P U 5.069 29.336 20.509
{o3g gnp 167}U 4.792 30.262 21.344
{nz lys 16}P U 5.642 28.455 20.467
{o ala 11}U 6.577 27.624 21.39
{nz lys 16}P U 5.033 28.167 20.178
{o gly 10}U 4.605 26.656 20.468
{nz lys 16}P U 5.768 29.261 19.988
{o1b gnp 167}U 6.921 30.173 19.854
{n gly 60}P U 2.687 29.678 22.16
{o3g gnp 167}U 4.037 30.432 21.913
{od1 asp 119}P U 19.479 31.584 15.982
{n1 gnp 167}U 18.286 32.213 16.675
{od2 asp 119}P U 20.892 32.754 17.168
{n2 gnp 167}U 19.688 33.122 18.211
{og ser 145}P U 19.449 31.768 13.775
{od1 asp 119}U 19.829 31.457 15.012
{o2* gnp 167}P U 13.912 37.179 19.
{o val 29}U 13.484 37.947 18.104
{o6 gnp 167}P U 16.338 31.706 14.669
{n ala 146}U 16.007 31.931 13.365
{nz lys 117}P U 13.799 30.568 21.842
{o gly 13}U 12.316 30.4 21.99
{nd2 asn 116}P U 13.217 29.452 16.516
{o val 14}U 12.456 29.033 17.777
{n gly 13}P U 7.834 30.564 22.899
{n3b gnp 167}U 7.026 31.803 21.988
{o3a gnp 167}P U 9.152 32.118 19.861
{n gly 15}U 10.063 30.789 19.125
{n lys 16}P U 8.18 30.594 17.582
{o1b gnp 167}U 7.683 30.602 19.125
{n ala 18}P U 9.12 34.583 16.135
{o1a gnp 167}U 9.215 34.372 17.529
@subgroup {het groups} 
@vectorlist {GPPNP} color= pink 
{o1g gnp 167}P 4.844 32.596 23.39
{pg gnp 167}5.113 32.223 21.994
{o2g gnp 167}4.203 32.91 21.112
{o3g gnp 167}P 4.64 30.769 21.802
{pg gnp 167}5.113 32.223 21.994
{n3b gnp 167}6.701 32.303 21.621
{pb gnp 167}7.31 32.034 20.111
{o1b gnp 167}P 7.468 30.605 19.791
{pb gnp 167}7.31 32.034 20.111
{o2b gnp 167}6.696 32.775 19.021
{o1a gnp 167}P 9.263 34.268 18.22
{pa gnp 167}9.28 34.14 19.71
{o2a gnp 167}8.594 35.173 20.51
{pb gnp 167}P 7.31 32.034 20.111
{o3a gnp 167}8.792 32.643 20.152
{pa gnp 167}9.28 34.14 19.71
{o5* gnp 167}10.826 34.056 20.132
{c5* gnp 167}11.17 33.911 21.535
{c4* gnp 167}12.587 34.445 21.811
{o4* gnp 167}13.56 33.649 21.095
{c4* gnp 167}P 12.587 34.445 21.811
{c3* gnp 167}12.813 35.91 21.359
{o3* gnp 167}13.793 36.538 22.221
{c3* gnp 167}P 12.813 35.91 21.359
{c2* gnp 167}13.325 35.679 19.947
{o2* gnp 167}14.151 36.75 19.499
{o4* gnp 167}P 13.56 33.649 21.095
{c1* gnp 167}14.242 34.478 20.156
{n9 gnp 167}14.454 33.739 18.896
{c8 gnp 167}13.518 33.262 17.993
{n7 gnp 167}14.016 32.636 16.979
{c5 gnp 167}15.413 32.694 17.2
{c6 gnp 167}16.521 32.219 16.402
{o6 gnp 167}16.507 31.591 15.338
{c6 gnp 167}P 16.521 32.219 16.402
{n1 gnp 167}17.735 32.503 16.995
{c2 gnp 167}17.909 33.082 18.236
{n2 gnp 167}19.173 33.28 18.658
{c2 gnp 167}P 17.909 33.082 18.236
{n3 gnp 167}16.884 33.498 18.996
{n9 gnp 167}P 14.454 33.739 18.896
{c4 gnp 167}15.675 33.331 18.398
{c5 gnp 167}15.413 32.694 17.2
{c2* gnp 167}P 13.325 35.679 19.947
{c1* gnp 167}14.242 34.478 20.156
{n3 gnp 167}P 16.884 33.498 18.996
{c4 gnp 167}15.675 33.331 18.398
@vectorlist {Mg++} color=yellow
{Mg mg 168}P 4.771 33.86 19.213
{Mg mg 168}4.771 33.86 19.213
{Mg mg 168}P U 3.771 33.86 19.213
{Mg mg 168}U 5.771 33.86 19.213
{Mg mg 168}P U 4.771 32.86 19.213
{Mg mg 168}U 4.771 34.86 19.213
{Mg mg 168}P U 4.771 33.86 18.213
{Mg mg 168}U 4.771 33.86 20.213
@subgroup dominant {mut sites}
@labellist {G12,13} color=green
{ G} P 6.406 28.632 24.054
{ G} P 9.511 30.602 23.139
@kinemage 3
@caption 
Complex of human growth hormone (yellowtint Calphas) with the extracellular part of its receptor (cyan and skyblue), each chain of which contains two immunoglobulin-like domains.  (from PDB file 2HHR; ref: De Vos et al., 1992, Science 255: 306)
@onewidth 
@zoom 1.13 
@zslab 120 
@center 28.120 24.057 13.897 
@matrix 
-0.083917 0.968355 0.235047 -0.329464 0.195651 -0.923674 -0.940431 -0.154952 0.302619 
@2zoom 1.13 
@2zslab 180 
@2center 29.785 18.531 15.528 
@2matrix 
0.276160 0.960814 0.023893 -0.952193 0.270134 0.142670 0.130625 -0.062150 0.989482 
@3zoom 1.13 
@3zslab 120 
@3center 39.218 21.367 13.802 
@3matrix 
0.285659 -0.169278 0.943262 -0.958236 -0.036602 0.283625 -0.013486 -0.984888 -0.172664 
@group {HGH} 
@vectorlist {Calphas} color= yellowtint 
{ca phe a 1} P 29.942 37.662 -10.062
{ca pro a 2} 29.26 36.614 -6.395
{ca thr a 3} 31.458 37.493 -3.53
{ca ile a 4} 31.665 34.868 -0.852
{ca pro a 5} 31.107 36.936 2.323
{ca leu a 6} 33.601 36.861 5.124
{ca ser a 7} 30.989 35.212 7.246
{ca arg a 8} 31.025 31.984 5.233
{ca leu a 9} 34.702 32.29 4.499
{ca phe a 10} 35.393 32.184 8.3
{ca asp a 11} 32.735 29.63 8.924
{ca asn a 12} 34.229 27.007 6.579
{ca ala a 13} 37.773 27.681 7.725
{ca met a 14} 36.639 26.897 11.335
{ca leu a 15} 35.088 23.609 10.182
{ca arg a 16} 38.495 22.614 8.855
{ca ala a 17} 40.461 24.018 11.836
{ca his a 18} 38.114 22.291 14.158
{ca arg a 19} 38.37 18.919 12.309
{ca leu a 20} 42.148 19.163 12.199
{ca his a 21} 42.316 19.853 15.926
{ca gln a 22} 39.715 17.136 16.784
{ca leu a 23} 41.75 14.617 14.756
{ca ala a 24} 45.073 15.584 16.423
{ca phe a 25} 43.449 15.458 19.884
{ca asp a 26} 41.625 12.053 19.602
{ca thr a 27} 44.555 10.338 17.835
{ca tyr a 28} 47.053 11.652 20.312
{ca gln a 29} 44.957 10.687 23.362
{ca glu a 30} 44.415 7.05 22.146
{ca phe a 31} 48.149 6.639 21.448
{ca glu a 32} 48.923 8.049 24.924
{ca glu a 33} 46.85 5.698 27.043
{ca ala a 34} 48.114 2.689 25.079
{ca tyr a 35} 51.881 3.287 24.943
{ca ile a 36} 52.715 6.199 27.389
{ca pro a 37} 52.685 5.914 31.203
{ca lys a 38} 52.807 9.037 33.316
{ca glu a 39} 56.342 8.029 34.252
{ca gln a 40} 57.226 8.575 30.573
{ca lys a 41} 54.743 11.42 29.859
{ca tyr a 42} 56.591 13.446 32.46
{ca ser a 43} 60.133 12.304 31.448
{ca phe a 44} 59.24 13.511 27.979
{ca leu a 45} 58.116 17.055 29.052
{ca gln a 46} 60.928 17.173 31.571
{ca asn a 47} 63.718 16.629 29.108
{ca pro a 48} 64.033 18.892 26.008
{ca gln a 49} 65.014 15.909 23.7
{ca thr a 50} 61.43 14.905 23.924
{ca ser a 51} 59.732 18.352 24.559
{ca leu a 52} 60.551 21.021 22.026
{ca cys a 53} 58.582 21.115 18.802
{ca phe a 54} 60.028 22.176 15.453
{ca ser a 55} 57.165 24.62 15.136
{ca glu a 56} 58.577 26.639 18.027
{ca ser a 57} 60.814 28.602 15.612
{ca ile a 58} 57.649 30.581 14.736
{ca pro a 59} 56.834 33.179 17.396
{ca thr a 60} 53.338 32.497 18.705
{ca pro a 61} 51.398 34.159 21.593
{ca ser a 62} 51.394 32.01 24.769
{ca asn a 63} 48.596 33.464 26.78
{ca arg a 64} 45.404 35.455 26.196
{ca glu a 65} 46.911 38.86 26.964
{ca glu a 66} 49.552 38.581 24.224
{ca thr a 67} 47.201 36.904 21.757
{ca gln a 68} 44.733 39.808 21.891
{ca gln a 69} 47.496 42.382 21.427
{ca lys a 70} 48.233 40.914 17.977
{ca ser a 71} 46.597 42.214 14.838
{ca asn a 72} 44.338 40.279 12.493
{ca leu a 73} 47.07 39.945 9.776
{ca glu a 74} 49.576 38.79 12.38
{ca leu a 75} 47.352 36.088 13.875
{ca leu a 76} 46.387 34.844 10.414
{ca arg a 77} 50.075 34.84 9.372
{ca ile a 78} 51.214 32.781 12.454
{ca ser a 79} 48.312 30.537 11.682
{ca leu a 80} 49.315 30.085 8.076
{ca leu a 81} 52.946 29.322 8.955
{ca leu a 82} 51.85 26.687 11.503
{ca ile a 83} 49.75 24.883 8.901
{ca gln a 84} 52.444 25.183 6.207
{ca ser a 85} 54.899 23.647 8.738
{ca trp a 86} 52.783 20.425 8.989
{ca leu a 87} 52.353 19.89 5.276
{ca glu a 88} 55.474 17.595 5.06
{ca pro a 89} 55.835 16.152 8.712
{ca val a 90} 52.361 14.556 8.709
{ca gln a 91} 54.059 11.927 6.501
{ca phe a 92} 55.793 10.635 9.656
{ca leu a 93} 52.513 10.026 11.398
{ca arg a 94} 51.487 7.561 8.572
{ca ser a 95} 52.578 4.647 10.636
{ca val a 96} 50.665 5.913 13.728
{ca phe a 97} 47.5 7.009 11.918
{ca ala a 98} 47.15 3.729 10.017
{ca asn a 99} 46.684 1.888 13.347
{ca ser a 100} 44.334 4.429 14.786
{ca leu a 101} 40.686 3.53 15.268
{ca val a 102} 39.992 7.28 14.645
{ca tyr a 103} 37.931 7.664 11.526
{ca gly a 104} 39.569 10.257 9.507
{ca ala a 105} 43.14 9.961 10.746
{ca ser a 106} 45.207 9.118 7.727
{ca asp a 107} 48.222 10.987 6.207
{ca ser a 108} 46.302 11.45 2.899
{ca asn a 109} 43.158 12.762 4.649
{ca val a 110} 44.947 15.029 7.132
{ca tyr a 111} 47.235 16.451 4.368
{ca asp a 112} 44.083 17.209 2.325
{ca leu a 113} 42.568 19.192 5.248
{ca leu a 114} 45.837 21.056 5.856
{ca lys a 115} 46.018 21.944 2.194
{ca asp a 116} 42.367 23.156 2.103
{ca leu a 117} 42.593 25.151 5.332
{ca glu a 118} 45.795 26.671 3.935
{ca glu a 119} 43.891 28.064 0.888
{ca gly a 120} 41.254 29.497 3.177
{ca ile a 121} 43.654 31.446 5.367
{ca gln a 122} 45.268 32.84 2.268
{ca thr a 123} 41.787 33.792 1.009
{ca leu a 124} 41.242 35.479 4.436
{ca met a 125} 44.519 37.394 4.235
{ca gly a 126} 43.304 38.844 0.881
{ca arg a 127} 40.038 40.129 2.294
{ca leu a 128} 41.261 41.258 5.657
{ca glu a 129} 43.227 44.339 5.048
{ca asp a 130} 43.193 45.49 8.548
{ca gly a 131} 45.934 48.052 9.037
{ca ser a 132} 48.941 45.832 9.775
{ca pro a 133} 52.45 46.92 8.744
{ca arg a 134} 53.768 43.86 6.995
{ca ala a 135} 57.23 43.339 8.615
{ca gly a 136} 60.131 41.184 9.671
{ca ala a 137} 59.284 38.601 12.286
{ca ala a 138} 56.194 36.609 11.277
{ca phe a 139} 56.738 38.194 7.825
{ca lys a 140} 59.859 36.036 7.566
{ca ala a 141} 58.36 32.704 6.282
{ca ala a 142} 59.991 30.283 8.554
{ca tyr a 143} 57.652 27.349 8.169
{ca ala a 144} 59.355 25.413 10.927
{ca ala a 145} 61.18 22.426 9.133
{ca phe a 146} 61.501 19.214 11.299
{ca ala a 147} 64.676 17.294 11.434
{ca asp a 154} P 63.55 5.44 20.277
{ca asp a 154} 63.55 5.44 20.277
{ca ala a 155} 60.668 5.422 17.802
{ca leu a 156} 57.788 5.278 20.442
{ca leu a 157} 58.758 8.543 21.93
{ca lys a 158} 59.555 9.905 18.407
{ca asn a 159} 55.99 9.331 17.364
{ca tyr a 160} 54.648 10.664 20.697
{ca gly a 161} 56.673 13.91 20.16
{ca leu a 162} 55.258 14.475 16.628
{ca leu a 163} 51.823 13.704 17.954
{ca tyr a 164} 52.217 15.945 21.011
{ca cys a 165} 53.158 18.896 18.808
{ca phe a 166} 50.43 18.226 16.183
{ca arg a 167} 47.744 18.311 18.963
{ca lys a 168} 49.146 21.644 20.204
{ca asp a 169} 49.776 23.468 16.94
{ca met a 170} 46.271 22.509 15.759
{ca asp a 171} 44.977 24.014 19.083
{ca lys a 172} 46.948 27.114 18.334
{ca val a 173} 45.566 27.38 14.769
{ca glu a 174} 42.031 26.835 16.035
{ca thr a 175} 42.391 29.537 18.748
{ca phe a 176} 44.094 32.045 16.494
{ca leu a 177} 41.517 31.863 13.716
{ca arg a 178} 38.668 32.209 16.284
{ca ile a 179} 40.181 35.395 17.757
{ca val a 180} 40.116 37.06 14.29
{ca gln a 181} 36.673 35.733 13.371
{ca cys a 182} 35.374 37.197 16.63
{ca arg a 183} 36.723 40.619 15.67
{ca ser a 184} 36.021 40.521 11.912
{ca val a 185} 32.565 38.96 11.812
{ca glu a 186} 30.213 40.558 14.346
{ca gly a 187} 27.67 38.385 15.932
{ca ser a 188} 29.988 35.348 15.537
{ca cys a 189} 30.863 34.925 19.16
{ca gly a 190} 28.209 37.236 20.551
@group {receptor A} 
@vectorlist {dom 1} color= cyan 
{ca ala b 232} P 52.406 11.989 53.383
{ca pro b 233} 50.686 14.878 51.463
{ca lys b 234} 49.594 14.081 47.939
{ca phe b 235} 48.314 15.96 44.865
{ca thr b 236} 44.651 15.735 44.009
{ca lys b 237} 43.998 17.959 40.999
{ca cys b 238} 45.237 21.036 39.217
{ca arg b 239} 42.553 22.746 37.027
{ca ser b 240} 42.263 25.811 34.715
{ca pro b 241} 38.665 27.094 34.691
{ca glu b 242} 38.886 29.623 31.902
{ca arg b 243} 42.277 28.899 30.336
{ca glu b 244} 43.674 31.96 32.034
{ca thr b 245} 44.386 31.125 35.734
{ca phe b 246} 44.933 27.726 37.422
{ca ser b 247} 45.396 26.019 40.741
{ca cys b 248} 46.918 22.911 42.262
{ca his b 249} 45.451 21.215 45.259
{ca trp b 250} 46.816 18.662 47.682
{ca thr b 251} 45.936 16.696 50.848
{ca asp b 252} 47.15 17.231 54.482
{ca glu b 253} 49.042 14.159 55.681
{ca val b 254} 52.035 15.175 57.837
{ca ala b 255} 50.4 18.188 59.534
{ca gly b 262} P 56.568 19.13 58.661
{ca gly b 262} 56.568 19.13 58.661
{ca pro b 263} 55.712 22.128 56.292
{ca ile b 264} 54.116 21.357 52.977
{ca gln b 265} 55.243 23.744 50.247
{ca leu b 266} 54.798 23.912 46.506
{ca phe b 267} 57.477 24.67 44.008
{ca tyr b 268} 56.944 25.177 40.286
{ca thr b 269} 58.978 25.705 37.057
{ca arg b 270} 58.019 26.285 33.316
{ca ala b 271} 59.793 26.122 29.885
{ca asn b 272} 59.167 29.75 28.963
{ca ala b 275} P 66.158 28.353 33.662
{ca ala b 275} 66.158 28.353 33.662
{ca trp b 276} 63.489 25.66 33.234
{ca thr b 277} 64.205 22.46 35.346
{ca ala b 278} 66.719 24.31 37.575
{ca ala b 279} 64.957 27.592 38.396
{ca trp b 280} 62.482 26.331 40.89
{ca lys b 281} 60.206 28.909 42.409
{ca glu b 282} 57.637 28.639 45.247
{ca cys b 283} 53.876 28.959 44.949
{ca pro b 284} 53.113 32.63 44.183
{ca asp b 285} 49.807 32.612 46.186
{ca tyr b 286} 48.961 30.163 49.021
{ca val b 287} 45.794 31.967 50.354
{ca ser b 288} 43.731 32.923 47.268
{ca ala b 289} 42.545 29.515 46.095
{ca gly b 290} 41.597 28.379 49.674
{ca glu b 291} 43.462 25.845 51.888
{ca asn b 292} 45.895 23.178 50.661
{ca ser b 293} 46.192 24.977 47.397
{ca cys b 294} 48.556 26.971 45.182
{ca tyr b 295} 47.11 29.599 42.736
{ca phe b 296} 48.853 30.957 39.669
{ca asn b 297} 47.041 33.983 38.482
{ca ser b 298} 46.703 35.618 35.118
{ca ser b 299} 50.336 36.711 35.133
{ca phe b 300} 51.906 33.346 36.103
{ca thr b 301} 49.98 31.344 33.504
{ca ser b 302} 50.871 30.408 29.977
{ca ile b 303} 49.258 27.793 27.767
{ca trp b 304} 51.05 25.473 25.375
{ca ile b 305} 54.148 25.612 27.744
{ca pro b 306} 54.98 22.516 30.026
{ca tyr b 307} 54.818 23.211 33.803
{ca cys b 308} 56.376 21.009 36.465
{ca ile b 309} 55.156 21.028 39.984
{ca lys b 310} 56.751 19.604 43.133
{ca leu b 311} 55.278 19.256 46.623
{ca thr b 312} 57.535 19.328 49.74
{ca ser b 313} 56.953 18.172 53.351
{ca asn b 314} 59.563 19.658 55.575
{ca gly b 315} 61.654 19.934 52.441
{ca gly b 316} 61.346 16.346 51.154
{ca thr b 317} 59.441 15.45 47.939
{ca val b 318} 56.34 13.332 47.957
{ca asp b 319} 54.97 14.272 44.582
{ca glu b 320} 56.351 15.668 41.367
{ca lys b 321} 53.876 16.353 38.463
{ca cys b 322} 54.217 17.803 34.932
{ca phe b 323} 51.495 19.057 32.609
{ca ser b 324} 50.497 22.029 30.411
{ca val b 325} 47.614 24.394 31.124
{ca asp b 326} 45.886 23.923 27.787
{ca glu b 327} 45.703 20.271 28.952
{ca ile b 328} 44.179 21.101 32.316
{ca val b 329} 41.04 23.097 31.292
{ca gln b 330} 38.002 21.99 33.204
{ca pro b 331} 35.557 24.876 32.945
{ca asp b 332} 32.889 26.074 35.294
{ca pro b 333} 29.17 24.958 35.216
@vectorlist {dom 2} color= cyan 
{ca pro b 333} P 29.17 24.958 35.216
{ca pro b 334} 26.694 27.021 33.092
{ca ile b 335} 24.521 29.438 34.921
{ca ala b 336} 20.857 30.782 34.788
{ca leu b 337} 19.251 27.394 33.906
{ca asn b 338} 15.622 28.186 32.833
{ca trp b 339} 12.866 26.536 30.732
{ca thr b 340} 9.807 27.084 28.505
{ca leu b 341} 6.857 25.061 27.379
{ca leu b 342} 7.021 24.331 23.648
{ca asn b 343} 4.194 21.954 22.831
{ca val b 344} 1.456 19.902 24.383
{ca ser b 345} 0.051 16.83 22.795
{ca leu b 346} -3.658 16.628 22.562
{ca thr b 347} -3.505 13.249 24.388
{ca gly b 348} -2.488 15.17 27.463
{ca ile b 349} 0.319 12.638 28.114
{ca his b 350} 3.447 14.406 26.578
{ca ala b 351} 4.955 17.908 26.608
{ca asp b 352} 8.005 19.324 24.903
{ca ile b 353} 10.081 21.926 26.666
{ca gln b 354} 12.836 24.222 25.526
{ca val b 355} 15.609 24.558 28.16
{ca arg b 356} 18.051 27.527 27.981
{ca trp b 357} 21.142 28.715 30.031
{ca glu b 358} 24.029 31.248 30.16
{ca ala b 359} 27.678 30.188 29.828
{ca pro b 360} 30.06 30.394 32.949
{ca arg b 361} 30.843 34.054 33.795
{ca asn b 362} 34.597 33.793 33.461
{ca ala b 363} 34.714 31.961 30.136
{ca asp b 364} 35.499 34.428 27.392
{ca ile b 365} 33.396 33.048 24.552
{ca gln b 366} 32.68 36.598 23.45
{ca lys b 367} 36.221 37.447 22.315
{ca gly b 368} 37.3 34.013 21.134
{ca trp b 369} 39.679 32.766 23.929
{ca met b 370} 37.184 29.936 24.556
{ca val b 371} 34.541 27.897 22.855
{ca leu b 372} 32.293 25.851 25.057
{ca glu b 373} 30.259 22.772 24.416
{ca tyr b 374} 27.439 21.696 26.768
{ca glu b 375} 26.007 18.404 27.969
{ca leu b 376} 22.424 18.366 29.238
{ca glu b 377} 21.123 15.512 31.332
{ca tyr b 378} 17.514 14.913 32.364
{ca lys b 379} 15.503 12.284 34.144
{ca glu b 380} 12.291 11.92 36.043
{ca val b 381} 12.822 12.488 39.736
{ca asn b 382} 11.789 8.794 40.41
{ca glu b 383} 13.985 7.196 37.743
{ca thr b 384} 17.552 5.833 38.235
{ca lys b 385} 19.128 6.214 34.793
{ca trp b 386} 19.939 9.743 33.54
{ca lys b 387} 19.181 10.513 29.915
{ca met b 388} 22.194 12.149 28.408
{ca met b 389} 22.388 14.459 25.532
{ca asp b 390} 24.561 14.475 22.619
{ca pro b 391} 26.693 17.601 22.958
{ca ile b 392} 24.972 20.788 22.37
{ca leu b 393} 26.899 23.721 20.901
{ca thr b 394} 24.148 26.279 21.595
{ca thr b 395} 22.96 27.635 24.981
{ca ser b 396} 19.35 26.57 24.407
{ca val b 397} 18.178 22.984 23.878
{ca pro b 398} 14.741 21.425 23.421
{ca val b 399} 14.105 18.164 25.111
{ca tyr b 400} 11.078 16.194 23.878
{ca ser b 401} 8.275 13.852 25.126
{ca leu b 402} 8.405 14.877 28.691
{ca lys b 403} 5.432 13.534 30.698
{ca val b 404} 3.067 16.137 32.104
{ca asp b 405} 2.081 14.303 35.179
{ca lys b 406} 5.737 13.972 36.204
{ca glu b 407} 8.534 16.077 37.491
{ca tyr b 408} 11.944 16.157 36.045
{ca glu b 409} 15.294 17.46 36.963
{ca val b 410} 17.818 18.696 34.453
{ca arg b 411} 21.637 19.181 34.996
{ca val b 412} 24.211 20.579 32.55
{ca arg b 413} 28.035 20.899 32.271
{ca ser b 414} 30.485 22.837 30.074
{ca lys b 415} 33.487 21.539 28.213
{ca gln b 416} 36.26 23.153 26.24
{ca arg b 417} 35.786 22.09 22.646
{ca asn b 418} 38.448 19.399 21.957
{ca ser b 419} 39.724 18.554 25.365
{ca gly b 420} 39.026 15.956 28.085
{ca asn b 421} 37.194 17.572 30.929
{ca tyr b 422} 33.64 18.625 31.604
{ca gly b 423} 33.241 20.735 34.632
{ca glu b 424} 30.802 20.123 37.418
{ca phe b 425} 27.105 20.12 36.726
{ca ser b 426} 24.938 23.124 37.102
{ca glu b 427} 22.339 23.738 39.828
{ca val b 428} 19.478 21.259 39.238
{ca leu b 429} 16.408 22.563 37.471
{ca tyr b 430} 13.143 20.971 38.501
{ca val b 431} 10.653 21.187 35.741
{ca thr b 432} 7.097 20.553 36.935
{ca leu b 433} 4.397 20.523 34.163
{ca pro b 434} 1.644 22.519 34.065
@group {receptor B} 
@vectorlist {dom 1} color= sky 
{ca ala c 532} P 16.411 24.161 -25.568
{ca pro c 533} 20.177 24.479 -24.742
{ca ala c 534} 20.098 26.086 -21.307
{ca phe c 535} 21.521 25.368 -17.858
{ca thr c 536} 19.517 23.658 -15.258
{ca lys c 537} 21.148 22.748 -12.006
{ca cys c 538} 24.606 22.699 -10.567
{ca arg c 539} 24.5 20.686 -7.338
{ca ser c 540} 27.05 19.827 -4.634
{ca pro c 541} 25.813 16.817 -2.529
{ca glu c 542} 28.413 17.117 0.15
{ca arg c 543} 30.462 20.37 0.277
{ca glu c 544} 33.277 18.778 -1.704
{ca thr c 545} 32.213 18.119 -5.325
{ca phe c 546} 29.65 19.287 -7.808
{ca ser c 547} 28.295 19.064 -11.29
{ca cys c 548} 26.126 20.906 -13.789
{ca his c 549} 23.275 19.774 -15.961
{ca trp c 550} 21.495 21.16 -18.942
{ca thr c 551} 18.932 20.371 -21.631
{ca ala c 552} 20.067 19.518 -25.144
{ca glu c 553} 18.635 16.067 -25.914
{ca val c 554} 18.296 16.969 -29.646
{ca ala c 555} 16.843 20.248 -28.156
{ca gly c 562} P 24.492 20.858 -31.741
{ca gly c 562} 24.492 20.858 -31.741
{ca pro c 563} 27.509 20. -29.668
{ca leu c 564} 27.129 21.638 -26.336
{ca gln c 565} 30.185 22.139 -24.213
{ca leu c 566} 30.827 23.288 -20.618
{ca phe c 567} 33.476 25.908 -19.854
{ca tyr c 568} 34.64 27.136 -16.402
{ca thr c 569} 36.744 29.699 -14.686
{ca arg c 570} 37.447 30.044 -10.945
{ca arg c 571} 37.18 33.824 -10.891
{ca ala c 572} 40.353 35.567 -10.01
{ca gln c 578} P 40.158 36.041 -19.256
{ca gln c 578} 40.158 36.041 -19.256
{ca ala c 579} 40.828 32.275 -19.46
{ca trp c 580} 38.478 29.384 -19.694
{ca lys c 581} 39.317 25.917 -18.759
{ca glu c 582} 36.859 23.244 -20.144
{ca cys c 583} 34.814 20.513 -18.543
{ca pro c 584} 37.056 17.931 -16.775
{ca asp c 585} 34.867 14.862 -17.
{ca tyr c 586} 31.765 15.15 -19.268
{ca val c 587} 30.656 11.613 -18.447
{ca ser c 588} 30.561 10.501 -14.781
{ca ala c 589} 27.218 12.174 -14.198
{ca gly c 590} 25.762 10.949 -17.507
{ca glu c 591} 23.698 12.28 -20.414
{ca asn c 592} 24.061 16.114 -20.109
{ca ser c 593} 26.541 16.707 -17.374
{ca cys c 594} 29.98 17.934 -16.211
{ca tyr c 595} 31.476 16.494 -12.966
{ca phe c 596} 33.884 18.707 -11.043
{ca asn c 597} 35.614 16.459 -8.463
{ca ser c 598} 37.564 17.088 -5.278
{ca ser c 599} 40.59 18.454 -7.073
{ca phe c 600} 38.503 20.769 -9.199
{ca thr c 601} 36.274 22.059 -6.452
{ca ser c 602} 37.477 24.762 -4.038
{ca ile c 603} 35.081 26.32 -1.572
{ca trp c 604} 36.975 29.691 -1.412
{ca ile c 605} 36.406 31.18 -4.836
{ca pro c 606} 33.411 31.992 -7.127
{ca tyr c 607} 33.121 29.894 -10.335
{ca cys c 608} 31.559 30.859 -13.644
{ca ile c 609} 30.427 28.628 -16.488
{ca lys c 610} 29.314 29.238 -20.089
{ca leu c 611} 27.646 26.53 -22.101
{ca thr c 612} 28.916 26.834 -25.632
{ca ser c 613} 26.729 25.425 -28.359
{ca ala c 614} 29.013 25.423 -31.43
{ca gly c 615} 30.973 28.56 -30.585
{ca gly c 616} 27.913 30.562 -29.456
{ca thr c 617} 27.329 31.056 -25.794
{ca val c 618} 23.783 30.08 -25.005
{ca asp c 619} 23.517 30.135 -21.193
{ca glu c 620} 26.219 31.198 -18.729
{ca lys c 621} 26.204 31.491 -14.923
{ca cys c 622} 28.359 32.262 -11.914
{ca phe c 623} 28.019 30.775 -8.414
{ca ser c 624} 30.005 29.622 -5.403
{ca val c 625} 29.889 26.082 -3.98
{ca asp c 626} 27.967 26.672 -0.677
{ca glu c 627} 25.319 28.331 -2.898
{ca ile c 628} 24.759 25.011 -4.725
{ca val c 629} 24.849 22.564 -1.752
{ca gln c 630} 21.732 20.463 -1.913
{ca pro c 631} 22.274 17.352 0.2
{ca asp c 632} 20.877 13.885 -0.273
{ca pro c 633} 17.526 13.108 1.521
@vectorlist {dom 2} color= sky 
{ca pro c 633} P 17.526 13.108 1.521
{ca pro c 634} 17.509 10.98 4.739
{ca ile c 635} 17.967 7.275 4.854
{ca ala c 636} 15.738 4.807 6.747
{ca leu c 637} 12.729 6.47 8.349
{ca asn c 638} 10.642 4.677 10.88
{ca trp c 639} 8.483 5.419 13.898
{ca thr c 640} 7.47 4.255 17.32
{ca leu c 641} 4.144 4.338 19.111
{ca leu c 642} 4.473 6.229 22.357
{ca asn c 643} 0.827 5.956 23.485
{ca val c 644} -2.834 6.658 23.147
{ca ser c 645} -5.199 8.85 25.07
{ca leu c 646} -7.985 7.669 27.427
{ca thr c 647} -10.48 8.862 24.854
{ca gly c 648} -8.788 6.639 22.24
{ca ile c 649} -9.27 9.41 19.595
{ca his c 650} -5.545 10.427 19.398
{ca ala c 651} -1.967 9.09 19.649
{ca asp c 652} 1.643 10.102 20.028
{ca ile c 653} 4.392 8.793 17.76
{ca gln c 654} 8.035 9.46 17.316
{ca val c 655} 9.751 9.385 13.913
{ca ala c 656} 13.388 8.689 13.51
{ca trp c 657} 15.466 8.831 10.369
{ca glu c 658} 19.089 8.531 9.541
{ca ala c 659} 21.567 10.881 7.792
{ca pro c 660} 22.528 10.43 4.102
{ca arg c 661} 25.617 8.223 3.799
{ca asn c 662} 27.745 11.11 2.423
{ca ala c 663} 27.508 13.103 5.692
{ca asp c 664} 28.774 10.261 7.845
{ca ile c 665} 31.835 10.142 5.676
{ca gln c 666} 32.305 13.852 6.131
{ca lys c 667} 31.486 15.152 9.692
{ca gly c 668} 32.887 18.589 10.748
{ca trp c 669} 32.094 19.658 7.242
{ca met c 670} 28.436 19.027 6.383
{ca val c 671} 26.376 19.75 9.455
{ca leu c 672} 22.782 18.875 8.612
{ca glu c 673} 19.378 20.116 9.706
{ca tyr c 674} 16.18 18.266 9.034
{ca glu c 675} 12.714 19.536 8.175
{ca leu c 676} 9.971 16.942 8.834
{ca gln c 677} 6.503 17.447 7.328
{ca tyr c 678} 3.442 15.304 7.589
{ca lys c 679} -0.153 15.166 6.491
{ca glu c 680} -3.121 12.877 6.41
{ca ala c 681} -3.053 10.377 3.461
{ca ala c 682} -5.988 12.374 1.934
{ca glu c 683} -5.365 15.863 3.396
{ca ala c 684} -3.892 18.472 0.981
{ca ala c 685} -1.381 20.901 2.559
{ca trp c 686} 1.573 19.404 4.42
{ca lys c 687} 1.939 20.395 7.99
{ca met c 688} 5.579 21.38 8.414
{ca met c 689} 7.671 21.165 11.614
{ca asp c 690} 10.562 23.392 12.744
{ca pro c 691} 14.032 22.527 11.339
{ca ile c 692} 15.659 20.254 13.877
{ca leu c 693} 19.248 19.135 14.121
{ca thr c 694} 18.405 15.712 15.591
{ca thr c 695} 17.434 12.598 13.698
{ca ser c 696} 14.207 12.19 15.797
{ca val c 697} 11.181 14.367 16.461
{ca pro c 698} 7.802 13.282 18.074
{ca val c 699} 4.557 13.885 16.248
{ca tyr c 700} 1.61 14.448 18.542
{ca ser c 701} -2.258 14.591 18.252
{ca leu c 702} -2.646 12.137 15.324
{ca lys c 703} -6.133 10.61 15.001
{ca val c 704} -5.745 6.901 15.806
{ca asp c 705} -7.716 5.877 12.737
{ca lys c 706} -6.605 8.144 10.039
{ca glu c 707} -3.749 7.012 7.698
{ca tyr c 708} -0.673 9.303 7.556
{ca glu c 709} 2.232 10.367 5.424
{ca val c 710} 5.518 11.516 6.925
{ca arg c 711} 8.372 12.797 4.729
{ca val c 712} 11.495 14.702 5.889
{ca arg c 713} 14.119 16.625 3.765
{ca ser c 714} 17.577 18.111 4.64
{ca lys c 715} 19.741 21.171 4.435
{ca gln c 716} 23.182 22.375 5.443
{ca ala c 717} 23.281 24.493 8.506
{ca asn c 718} 22.724 27.893 7.065
{ca ser c 719} 23.832 27.896 3.477
{ca gly c 720} 22.624 26.265 0.266
{ca asn c 721} 18.997 25.221 0.188
{ca tyr c 722} 16.944 22.087 0.743
{ca gly c 723} 17.522 18.805 -1.016
{ca glu c 724} 14.76 16.426 -2.094
{ca phe c 725} 12.518 14.51 0.314
{ca ser c 726} 13.042 11.113 1.902
{ca glu c 727} 11.058 8.01 0.977
{ca val c 728} 7.618 8.827 2.432
{ca leu c 729} 6.611 6.822 5.506
{ca tyr c 730} 3.092 5.623 5.835
{ca val c 731} 2.074 5.764 9.39
{ca thr c 732} -1.086 3.908 10.34
{ca leu c 733} -2.289 3.838 13.919
{ca pro c 734} -3.936 0.675 15.292
{ca gln c 735} -7.297 0.698 17.031
{ca met c 736} -6.067 0.062 20.521