@text   Protein Science 1994 - Vol. 3, Issue 2
"cAMP-DEPENDENT PROTEIN KINASE:  CRYSTALLOGRAPHIC INSIGHTS INTO SUBSTRATE RECOGNITION AND PHOSPHOTRANSFER"
Madhusudan, E.A. Trafny, N.-h. Xuong, J.A. Adams, L.F. Ten Eyck, S.S. Taylor, and J.M. Sowadski

                Contents of file MADHUSDN.KIN:
Kin.1 - Calpha trace of the ternary substrate complex (all ADP & peptide atoms included)
Kin.2 - Calpha trace of the binary substrate complex (all peptide atoms included)
Kin.3 - Comparison of glycine-rich loop conformations in the ternary & binary complexes

        Kinemage 1 is a Calpha trace of the ternary substrate complex of the catalytic subunit (res. 6-350) of cAMP-dependent protein kinase, derived from x-ray crystallographic data resolved to 2.2 Angstroms.  The enzyme catalyzes the phosphorylation of proteins having arginine residues preceding the phosphorylation site (P-site).  Specifically, the catalytic subunit is comprised of two lobes:  the small lobe contains an ATP binding domain; the large lobe accommodates the substrate binding site and the residues  
required for phosphotransfer.
        The ternary complex contains a 20-residue substrate peptide (res. 361-380), along with ADP.  The peptide has a serine at the P-site that is directly hydrogen bonded through its hydroxyl group to Asp166 in the enzyme.  The fact that Asp166 is in close proximity to the P-site and is conserved in all protein kinases, implicates this residue as a catalytic base.  One can also observe the interaction of the potentially-phosphorylated serine with its own backbone amide, as well as the role of Lys168 (conserved  
in all Ser/Thr kinases) in anchoring the peptide to the enzyme.  Lys72 and Asp184 appear critical for binding and neutralizing the ADP.  The location of the glycine-rich loop (res. 50-55) with respect to the active site is highlighted.  View2 is a close-up of the active site, similar to the perspective in Figure 2A of the manuscript.

        Kinemage 2 is a Calpha trace of the binary substrate complex of the catalytic subunit of cAMP-dependent protein kinase (res. 6-350), derived from x-ray crystallographic data resolved to 2.25 Angstroms.  The binary complex contains only a 20-residue product peptide (res. 361-380), whose P-site serine is phosphorylated.  Enzyme-peptide interactions include Lys168 ion-paired with the phosphate moiety, and a hydrogen bonding network which contains the backbone carbonyl of the P-2 residue in the peptide and Th
r201 in the enzyme.  This demonstrates the ability of Lys168 to anchor the peptide to the large lobe of the enzyme.  The glycine-rich loop (res. 50-55) is highlighted for reference.  View2 is a close-up of the active site, similar to the perspective in Figure 2B of the manuscript.

        Kinemage 3 is a Calpha overlay of the ternary and binary complexes; only residues 15-127 (comprising the small lobe) are presented for each structure.  One can see that major structural deviation is limited to the glycine-rich loop.  It may be reasonable to speculate that movement of this loop is necessary for ADP dissociation in the catalytic pathway.

        Coordinates from Brookhaven Data Bank files:  not available at time of publication

   Copyright (c) 1994 The Protein Society.  This kinemage is published as part of Protein Science Vol. 3, Issue 2.  All rights reserved.  This and other kinemages published in Protein Science may be reproduced without permission by teachers and students for research and educational purposes providing this notice remains a part of the kinemage file.  In case of doubt or for any other use, contact Cambridge University Press.

@kinemage 1
@caption  
Calpha trace of the ternary complex of the catalytic subunit (res. 6-350) of cAMP-dependent protein kinase.  The enzyme is displayed in greentint, with ADP in yellow, and the substrate peptide in magenta.  The Gly-rich loop is highlighted in green.  Select 'view2', 'Active Site', & 'Labels', then turn off 'Calphas' for a good look at the substrates and important residues (seagreen) around the P-site.  Turn on 'Hbnd/SaltBr' (brown) to examine the interactions in this region.  Toggle the 'peptide' button to  
see which peptide residues interact with the enzyme.
@onewidth  
@2zoom 2.66  
@2zslab 220  
@2center 14.953 7.226 1.824  
@2matrix  
0.965258 0.189134 0.180294 -0.260520 0.749845 0.608163 -0.020168 -0.634004 0.773066  
@group {Ternary}  
@subgroup {Calphas} dominant
@vectorlist {ca} color= greentint  
{ca gly 9}P -5.385 -22.161 -15.037
{ca gly 9}-5.385 -22.161 -15.037
{ca sep 10}-8.48 -20.008 -14.476
{ca ala 11}-6.884 -18.069 -11.592
{ca gln 12}-3.995 -17.033 -13.736
{ca glu 13}-5.902 -15.763 -16.792
{ca ala 14}-7.948 -13.636 -14.421
{ca val 15}-4.632 -12.079 -13.406
{ca ala 16}-3.546 -11.752 -17.069
{ca ala 17}-6.825 -10.009 -17.896
{ca phe 18}-6.668 -7.657 -14.863
{ca leu 19}-3.115 -6.892 -15.714
{ca ala 20}-4.001 -6.151 -19.358
{ca ala 21}-6.703 -3.79 -18.363
{ca ala 22}-4.281 -2.139 -15.883
{ca lys 23}-1.709 -1.586 -18.631
{ca ala 24}-4.377 0.172 -20.612
{ca asp 25}-5.003 2.783 -17.826
{ca phe 26}-1.397 3.448 -17.046
{ca leu 27}-0.502 4.126 -20.733
{ca ala 28}-3.326 6.645 -20.895
{ca lys 29}-1.726 8.547 -18.006
{ca trp 30}1.874 7.766 -19.022
{ca ala 31}1.275 9.494 -22.313
{ca thr 32}-0.753 12.502 -20.918
{ca pro 33}0.603 13.462 -17.473
{ca ser 34}-0.923 15.8 -14.981
{ca gln 35}0.773 19.04 -14.213
{ca asn 36}0.258 22.009 -11.849
{ca thr 37}-2.692 20.591 -9.925
{ca ala 38}-2.22 23.015 -6.896
{ca gln 39}-0.107 25.698 -5.247
{ca leu 40}1.994 25.946 -2.091
{ca asp 41}-0.281 28.378 -0.433
{ca gln 42}-3.127 25.994 -0.434
{ca phe 43}-1.501 24.071 2.313
{ca asp 44}-0.405 24.608 5.866
{ca ala 45}2.996 23.104 6.488
{ca ile 46}3.027 21.154 9.768
{ca lys 47}5.95 18.779 10.403
{ca thr 48}8.834 17.03 8.578
{ca leu 49}7.924 13.186 8.435
{ca gly 50}11.274 12.127 7.202
{ca thr 51}14.049 12.885 4.845
{ca gly 52}15.659 11.137 1.968
{ca ala 53}18.113 11.604 -0.889
{ca phe 54}17.893 15.44 -1.703
{ca gly 55}14.413 16.029 -0.555
{ca arg 56}12.264 16.154 2.433
{ca val 57}8.803 15.017 3.177
{ca met 58}6.338 16.981 5.308
{ca leu 59}2.895 16.587 6.843
{ca val 60}0.813 19.208 5.354
{ca lys 61}-2.711 20.311 5.593
{ca his 62}-4.999 21.191 2.704
{ca lys 63}-6.613 24.437 3.642
{ca ala 64}-9.634 24.025 1.36
{ca ser 65}-10.783 20.484 2.207
{ca gly 66}-9.329 19.945 5.625
{ca asn 67}-7.3 16.923 4.494
{ca his 68}-3.77 16.11 5.587
{ca tyr 69}-1.205 14.881 3.061
{ca ala 70}2.507 14.224 2.826
{ca met 71}4.272 16.58 0.592
{ca lys 72}7.641 15.691 -0.854
{ca ile 73}9.936 18.645 -1.582
{ca leu 74}12.878 18.757 -4.063
{ca asp 75}15.245 21.593 -4.504
{ca lys 76}15.61 22.072 -8.231
{ca gln 77}19.157 23.25 -7.966
{ca lys 78}20.126 20.331 -5.826
{ca val 79}18.603 17.844 -8.237
{ca val 80}20.579 19.485 -10.967
{ca lys 81}23.968 19.424 -9.13
{ca leu 82}23.329 15.796 -8.186
{ca ala 83}22.458 14.844 -11.779
{ca gln 84}19.046 13.559 -10.894
{ca ile 85}16.888 15.318 -13.361
{ca glu 86}15.806 12.333 -15.309
{ca his 87}15.13 10.357 -12.153
{ca thr 88}12.96 13.204 -10.844
{ca leu 89}11.005 13.518 -14.077
{ca asn 90}10.645 9.698 -14.091
{ca glu 91}9.473 9.672 -10.447
{ca lys 92}6.664 12.064 -11.038
{ca arg 93}5.563 10.717 -14.389
{ca ile 94}5.419 7.13 -13.124
{ca leu 95}3.828 8.038 -9.773
{ca gln 96}1.009 9.872 -11.507
{ca ala 97}0.162 7.046 -13.861
{ca val 98}0.188 4.061 -11.487
{ca asn 99}-2.72 2.582 -9.557
{ca phe 100}-2.544 -0.337 -7.205
{ca pro 101}-3.585 -1.021 -3.659
{ca phe 102}-0.162 -1.143 -2.173
{ca leu 103}1.281 2.013 -3.858
{ca val 104}1.054 5.506 -2.341
{ca lys 105}-1.503 7.676 -4.21
{ca leu 106}-0.208 10.934 -5.634
{ca glu 107}-2.79 13.699 -5.178
{ca phe 108}-1.201 16.763 -6.71
{ca ser 109}2.09 17.837 -8.112
{ca phe 110}3.256 21.395 -8.791
{ca lys 111}6.329 23.544 -8.958
{ca asp 112}7.609 26.956 -8.188
{ca asn 113}10.76 29.04 -8.576
{ca ser 114}12.913 26.824 -6.491
{ca asn 115}11.184 23.555 -5.94
{ca leu 116}9.267 20.586 -7.139
{ca tyr 117}6.338 19.359 -5.074
{ca met 118}4.542 16.074 -4.906
{ca val 119}1.422 15.73 -2.765
{ca met 120}0.53 12.253 -1.699
{ca glu 121}-1.792 10.691 0.722
{ca tyr 122}-0.52 10.616 4.311
{ca val 123}0.286 7.037 5.553
{ca ala 124}0.202 7.461 9.342
{ca gly 125}1.411 4.105 10.645
{ca gly 126}5.099 4.962 10.138
{ca glu 127}7.898 3.237 8.308
{ca met 128}8.097 -0.477 8.478
{ca phe 129}11.65 0.228 9.34
{ca ser 130}10.89 1.669 12.737
{ca his 131}8.551 -0.999 13.923
{ca leu 132}11.081 -3.449 12.72
{ca arg 133}13.972 -2.019 14.645
{ca arg 134}11.894 -1.661 17.788
{ca ile 135}10.452 -5.166 17.638
{ca gly 136}13.742 -6.76 16.669
{ca arg 137}12.353 -9.207 14.116
{ca phe 138}9.122 -10.35 12.627
{ca ser 139}7.579 -13.748 12.764
{ca glu 140}7.584 -15.814 9.572
{ca pro 141}3.867 -15.281 9.355
{ca his 142}4.044 -11.546 9.845
{ca ala 143}6.944 -11.319 7.286
{ca arg 144}4.918 -13.342 4.835
{ca phe 145}1.912 -11.077 5.017
{ca tyr 146}4.261 -8.226 4.033
{ca ala 147}6.197 -10.12 1.422
{ca ala 148}3.021 -11.078 -0.265
{ca gln 149}1.968 -7.532 -0.876
{ca ile 150}5.413 -6.754 -2.283
{ca val 151}5.202 -9.783 -4.637
{ca leu 152}1.911 -8.59 -6.023
{ca thr 153}3.283 -5.035 -6.302
{ca phe 154}6.256 -5.987 -8.316
{ca glu 155}4.064 -8.184 -10.5
{ca tyr 156}2.073 -5.14 -11.222
{ca leu 157}5.018 -2.786 -11.853
{ca his 158}6.974 -5.157 -13.895
{ca ser 159}3.971 -5.796 -16.133
{ca leu 160}4.044 -2.092 -16.958
{ca asp 161}7.769 -2.398 -17.83
{ca leu 162}8.707 -0.602 -14.638
{ca ile 163}11.767 -1.411 -12.531
{ca tyr 164}11.35 -0.026 -8.988
{ca arg 165}14.785 0.019 -7.685
{ca asp 166}14.896 0.937 -4.042
{ca leu 167}13.04 -1.636 -1.926
{ca lys 168}13.825 -1.243 1.812
{ca pro 169}11.764 -1.024 4.96
{ca glu 170}12.489 2.721 5.141
{ca asn 171}10.376 2.919 1.895
{ca leu 172}7.384 0.817 3.025
{ca leu 173}4.799 2.463 5.16
{ca ile 174}2.113 0.896 7.223
{ca asp 175}-1.35 2.151 6.764
{ca gln 176}-4.37 2.32 9.039
{ca gln 177}-5.31 -1.266 8.317
{ca gly 178}-1.826 -2.765 8.743
{ca tyr 179}-1.163 -2.945 5.072
{ca ile 180}1.79 -1.621 3.242
{ca gln 181}2.217 1.358 0.963
{ca val 182}5.403 1.64 -1.097
{ca thr 183}6.802 5.087 -1.425
{ca asp 184}9.859 6.69 -3.013
{ca phe 185}9.734 6.115 -6.801
{ca gly 186}12.854 8.251 -7.304
{ca phe 187}14.802 5.492 -9.084
{ca ala 188}11.766 3.884 -10.701
{ca lys 189}12.184 3.676 -14.428
{ca arg 190}10.328 2.388 -17.379
{ca val 191}12.567 0.397 -19.59
{ca lys 192}12.157 -2.482 -21.938
{ca gly 193}15.48 -4.132 -21.999
{ca arg 194}18.578 -3.365 -19.998
{ca thr 195}19.664 -0.587 -17.607
{ca trp 196}22.992 0.503 -16.17
{ca thp 197}22.696 3.297 -13.607
{ca leu 198}24.465 2.776 -10.299
{ca cys 199}21.677 3.339 -7.721
{ca gly 200}19.931 1.799 -4.695
{ca thr 201}20.857 1.201 -1.082
{ca pro 202}24.05 -0.737 -0.554
{ca glu 203}22.622 -3.525 1.597
{ca tyr 204}20.011 -4.22 -1.059
{ca leu 205}22.013 -3.943 -4.26
{ca ala 206}21.963 -6.976 -6.656
{ca pro 207}25.399 -8.268 -7.675
{ca glu 208}24.987 -7.412 -11.313
{ca ile 209}24.537 -3.953 -10.18
{ca ile 210}27.6 -3.642 -8.075
{ca leu 211}29.316 -5.427 -10.958
{ca ser 212}27.85 -2.853 -13.389
{ca lys 213}26.963 -5.361 -15.966
{ca gly 214}23.708 -4.045 -17.161
{ca tyr 215}20.545 -5.248 -15.639
{ca asn 216}16.864 -5.753 -15.613
{ca lys 217}13.891 -6.449 -13.418
{ca ala 218}15.671 -9.317 -11.722
{ca val 219}17.389 -6.845 -9.363
{ca asp 220}13.978 -6.258 -7.767
{ca trp 221}13.564 -9.912 -7.006
{ca trp 222}17.014 -10.052 -5.35
{ca ala 223}15.874 -7.079 -3.274
{ca leu 224}12.753 -8.818 -2.192
{ca gly 225}15.097 -11.568 -1.102
{ca val 226}17.032 -9.191 1.191
{ca leu 227}13.864 -7.62 2.501
{ca ile 228}12.473 -10.984 3.54
{ca tyr 229}15.592 -11.979 5.291
{ca glu 230}15.813 -8.662 7.094
{ca met 231}12.331 -8.876 8.181
{ca ala 232}12.688 -12.432 9.628
{ca ala 233}16.152 -12.207 10.977
{ca gly 234}16.009 -8.637 12.186
{ca tyr 235}19.283 -7.862 10.381
{ca pro 236}20.268 -7.779 6.665
{ca pro 237}22.145 -10.693 5.087
{ca phe 238}25.207 -8.662 4.109
{ca phe 239}26.004 -6.043 6.645
{ca ala 240}29.16 -4.071 7.425
{ca asp 241}30.106 -0.474 8.418
{ca ala 242}31.546 0.712 5.102
{ca pro 243}29.682 0.128 1.88
{ca ile 244}32.613 -1.567 0.227
{ca gln 245}32.749 -4.403 2.704
{ca ile 246}29.1 -4.813 1.984
{ca tyr 247}29.669 -5.021 -1.781
{ca glu 248}32.231 -7.781 -1.326
{ca lys 249}29.854 -9.992 0.603
{ca ile 250}27.076 -9.509 -1.884
{ca val 251}29.322 -10.631 -4.78
{ca ser 252}31.083 -13.481 -2.924
{ca gly 253}27.869 -15.439 -3.25
{ca lys 254}27.655 -16.508 0.396
{ca val 255}24.692 -16.22 2.763
{ca ala 256}24.293 -17.748 6.176
{ca phe 257}20.845 -18.062 7.603
{ca pro 258}19.835 -17.998 11.156
{ca ser 259}19.082 -21.293 12.986
{ca his 260}15.471 -20.345 13.461
{ca phe 261}14.584 -20.021 9.73
{ca ser 262}12.173 -22.674 8.452
{ca ser 263}13.517 -24.857 5.677
{ca asp 264}10.846 -23.508 3.344
{ca leu 265}11.973 -19.979 4.012
{ca lys 266}15.659 -20.708 3.388
{ca asp 267}14.702 -22.537 0.296
{ca leu 268}12.834 -19.56 -1.044
{ca leu 269}15.726 -17.376 -0.015
{ca ala 270}18.464 -19.288 -1.528
{ca asn 271}16.489 -18.983 -4.804
{ca leu 272}15.854 -15.304 -4.493
{ca leu 273}19.409 -14.582 -3.296
{ca gln 274}20.741 -16.281 -6.383
{ca val 275}23.834 -14.691 -7.921
{ca ala 276}23.11 -16.178 -11.366
{ca leu 277}20.273 -14.374 -13.037
{ca thr 278}19.769 -17.53 -14.979
{ca ala 279}18.983 -19.191 -11.811
{ca arg 280}17.265 -16.435 -9.901
{ca phe 281}13.55 -16.832 -9.032
{ca gly 282}11.418 -14.241 -10.886
{ca asn 283}13.892 -14.186 -13.875
{ca leu 284}12.945 -17.471 -15.478
{ca lys 285}10.279 -19.279 -17.391
{ca asn 286}7.442 -19.212 -14.88
{ca gly 287}8.349 -15.726 -13.796
{ca val 288}6.738 -14.551 -10.607
{ca asn 289}4.862 -17.729 -10.64
{ca asp 290}7.842 -19.58 -9.239
{ca ile 291}7.525 -17.337 -6.208
{ca lys 292}3.713 -17.332 -5.769
{ca asn 293}3.707 -21.069 -5.786
{ca his 294}6.601 -21.553 -3.548
{ca lys 295}6.091 -23.704 -0.482
{ca trp 296}6.722 -20.867 1.918
{ca phe 297}3.688 -19.175 0.341
{ca ala 298}1.442 -22.249 0.485
{ca thr 299}-0.858 -20.584 2.957
{ca thr 300}-1.253 -17.253 1.167
{ca asp 301}-4.578 -16.539 -0.408
{ca trp 302}-3.218 -14.063 -2.954
{ca ile 303}-6.58 -12.779 -4.014
{ca ala 304}-7.731 -12.045 -0.533
{ca ile 305}-4.39 -10.257 0.038
{ca tyr 306}-5.08 -8.162 -2.963
{ca gln 307}-8.584 -7.332 -1.735
{ca arg 308}-7.331 -6.48 1.718
{ca lys 309}-9.293 -9.171 3.166
{ca val 310}-6.605 -10.71 5.337
{ca ala 311}-6.37 -9.661 8.953
{ca ala 312}-3.275 -7.576 9.574
{ca pro 313}-1.024 -9.02 12.264
{ca phe 314}-0.317 -5.584 13.565
{ca ile 315}-2.291 -2.416 13.36
{ca pro 316}-0.384 0.715 14.296
{ca ala 317}-1.932 3.134 16.739
{ca ala 318}-3.308 6.293 15.209
{ca ala 319}-4.462 8.857 17.712
{ca gly 320}-6.246 11.614 15.744
{ca pro 321}-5.963 13.107 12.209
{ca gly 322}-2.529 14.525 11.636
{ca asp 323}-1.111 12.333 14.385
{ca thr 324}2.67 11.961 13.719
{ca ser 325}3.446 9.653 16.683
{ca asn 326}4.564 6.767 14.459
{ca phe 327}7.405 8.884 12.977
{ca asp 328}10.677 10.212 14.336
{ca asp 329}11.405 13.833 14.956
{ca tyr 330}13.448 15.874 12.526
{ca ala 331}14.864 19.414 12.499
{ca glu 332}12.487 21.61 10.716
{ca ala 333}13.907 23.702 7.966
{ca ala 334}12.564 26.735 6.208
{ca ile 335}11.247 26.539 2.718
{ca ala 336}12.638 29.273 0.567
{ca val 337}11.211 30.369 -2.782
{ca sep 338}13.196 32.715 -4.952
{ca ala 339}11.788 35.734 -6.573
{ca ala 340}13.74 34.318 -9.416
{ca glu 341}13.242 31.123 -11.38
{ca lys 342}16.092 28.572 -10.995
{ca cys 343}16.25 25.855 -13.778
{ca gly 344}12.932 26.155 -15.634
{ca ala 345}14.235 24.601 -18.869
{ca glu 346}15.37 21.451 -17.132
{ca phe 347}12.083 20.895 -15.348
{ca thr 348}9.672 21.976 -18.023
{ca glu 349}7.602 18.956 -18.197
{ca phe 350}7.35 18.61 -14.44
@vectorlist {G-rich loop} color=green
{ca gly 50}P 11.274 12.127 7.202
{ca thr 51}14.049 12.885 4.845
{ca gly 52}15.659 11.137 1.968
{ca ala 53}18.113 11.604 -0.889
{ca phe 54}17.893 15.44 -1.703
{ca gly 55}14.413 16.029 -0.555
@subgroup {Active site} nobutton  
@vectorlist {Main ch} nobutton color=greentint master= {Active Site} off
{n lys 72}P 6.211 15.911 -0.66
{n lys 72}6.211 15.911 -0.66
{ca lys 72}7.641 15.691 -0.854
{c lys 72}8.236 16.922 -1.494
{o lys 72}7.62 17.442 -2.421
{n asp 166}P 14.454 0.561 -5.346
{n asp 166}14.454 0.561 -5.346
{ca asp 166}14.896 0.937 -4.042
{c asp 166}14.076 0.322 -2.895
{o asp 166}13.705 0.988 -1.958
{n lys 168}P 13.18 -1.293 0.491
{n lys 168}13.18 -1.293 0.491
{ca lys 168}13.825 -1.243 1.812
{c lys 168}12.752 -0.827 2.787
{o lys 168}11.861 -0.067 2.426
{n asn 171}P 11.308 2.507 2.99
{n asn 171}11.308 2.507 2.99
{ca asn 171}10.376 2.919 1.895
{c asn 171}9.014 2.209 1.865
{o asn 171}8.291 2.3 0.878
{n asp 184}P 8.561 6.494 -2.428
{n asp 184}8.561 6.494 -2.428
{ca asp 184}9.859 6.69 -3.013
{c asp 184}10.118 5.927 -4.333
{o asp 184}10.733 4.865 -4.374
{n phe 187}P 13.896 6.244 -8.216
{n phe 187}13.896 6.244 -8.216
{ca phe 187}14.802 5.492 -9.084
{c phe 187}13.986 4.579 -9.992
{o phe 187}14.527 3.784 -10.753
{n thr 201}P 20.262 1.124 -2.408
{n thr 201}20.262 1.124 -2.408
{ca thr 201}20.857 1.201 -1.082
{c thr 201}21.769 0.03 -0.992
{o thr 201}21.354 -1.104 -1.227
@vectorlist {peptide} nobutton color=magenta master= {Active Site} off
{n arg 375}P 19.089 3.845 6.308
{n arg 375}19.089 3.845 6.308
{ca arg 375}20.122 3.881 5.282
{c arg 375}19.685 4.722 4.073
{o arg 375}18.569 4.602 3.567
{c arg 375}P 19.685 4.722 4.073
{n ala 376}20.579 5.58 3.595
{ca ala 376}20.284 6.42 2.444
{c ala 376}20.602 5.698 1.166
{o ala 376}21.437 4.757 1.18
{c ala 376}P 20.602 5.698 1.166
{n ser 377}19.93 6.175 0.102
{ca ser 377}20.057 5.659 -1.251
{c ser 377}21.22 6.293 -1.891
{o ser 377}21.406 7.497 -1.737
{c ser 377}P 21.22 6.293 -1.891
{n ile 378}21.992 5.481 -2.61
{ca ile 378}23.146 5.981 -3.311
{c ile 378}22.855 6.165 -4.787
{o ile 378}21.817 5.7 -5.264
@vectorlist {Side ch} nobutton color=seagreen master= {Active Site} off
{ca lys 72}P 7.641 15.691 -0.854
{cb lys 72}7.836 14.54 -1.787
{cg lys 72}9.291 14.324 -2.08
{cd lys 72}9.431 12.919 -2.586
{ce lys 72}10.848 12.504 -2.85
{nz lys 72}10.889 11.171 -3.44
{ca asp 166}P 14.896 0.937 -4.042
{cb asp 166}14.928 2.488 -3.99
{cg asp 166}15.924 3.102 -3.022
{od1 asp 166}15.732 4.184 -2.59
{cg asp 166}P 15.924 3.102 -3.022
{od2 asp 166}17.005 2.378 -2.709
{ca lys 168}P 13.825 -1.243 1.812
{cb lys 168}15.042 -0.33 1.868
{cg lys 168}14.779 1.083 1.343
{cd lys 168}16.075 1.91 1.31
{ce lys 168}15.917 3.424 1.194
{nz lys 168}17.237 4.079 1.086
{ca asn 171}P 10.376 2.919 1.895
{cb asn 171}10.992 2.839 0.484
{cg asn 171}12.112 3.815 0.278
{od1 asn 171}12.14 4.841 0.963
{cg asn 171}P 12.112 3.815 0.278
{nd2 asn 171}13.042 3.486 -0.627
{ca asp 184}P 9.859 6.69 -3.013
{cb asp 184}11.017 6.423 -2.086
{cg asp 184}12.139 7.232 -2.65
{od1 asp 184}11.96 8.038 -3.556
{cg asp 184}P 12.139 7.232 -2.65
{od2 asp 184}13.294 7.01 -2.099
{ca phe 187}P 14.802 5.492 -9.084
{cb phe 187}15.837 4.594 -8.325
{cg phe 187}16.821 5.285 -7.42
{cd1 phe 187}17.292 6.576 -7.687
{ce1 phe 187}18.218 7.193 -6.84
{cz phe 187}18.708 6.506 -5.723
{cg phe 187}P 16.821 5.285 -7.42
{cd2 phe 187}17.335 4.614 -6.309
{ce2 phe 187}18.273 5.206 -5.46
{cz phe 187}18.708 6.506 -5.723
{ca thr 201}P 20.857 1.201 -1.082
{cb thr 201}19.767 1.066 -0.03
{og1 thr 201}18.861 2.15 -0.17
{cb thr 201}P 19.767 1.066 -0.03
{cg2 thr 201}20.348 1.006 1.38
@vectorlist {peptide} nobutton color=magenta master= {Active Site} off
{ca arg 375}P 20.122 3.881 5.282
{cb arg 375}20.448 2.481 4.815
{cg arg 375}21.032 1.591 5.907
{cd arg 375}20.616 0.128 5.728
{ne arg 375}19.149 -0.029 5.801
{cz arg 375}18.505 -1.182 6.045
{nh1 arg 375}17.215 -1.272 6.082
{cz arg 375}P 18.505 -1.182 6.045
{nh2 arg 375}19.203 -2.294 6.277
{ca ala 376}P 20.284 6.42 2.444
{cb ala 376}21.112 7.68 2.443
{ca ser 377}P 20.057 5.659 -1.251
{cb ser 377}18.865 6.033 -2.109
{og ser 377}17.655 5.666 -1.422
{ca ile 378}P 23.146 5.981 -3.311
{cb ile 378}24.417 5.175 -3.076
{cg2 ile 378}24.855 5.364 -1.636
{cb ile 378}P 24.417 5.175 -3.076
{cg1 ile 378}24.196 3.699 -3.345
{cd1 ile 378}24.771 3.248 -4.677
@subgroup {peptide} dominant
@vectorlist {mc} color= magenta  
{ca thr 361}P 25.62 -13.453 18.183
{c thr 361}25.726 -12.486 17.054
{o thr 361}26.219 -11.384 17.237
{n thr 361}P 26.573 -13.082 19.187
{n thr 361}26.573 -13.082 19.187
{ca thr 361}25.62 -13.453 18.183
{c thr 361}P 25.726 -12.486 17.054
{n thr 362}25.236 -12.899 15.907
{ca thr 362}25.262 -12.059 14.728
{c thr 362}24.425 -10.819 14.96
{o thr 362}24.77 -9.71 14.558
{c thr 362}P 24.425 -10.819 14.96
{n tyr 363}23.304 -11.043 15.645
{ca tyr 363}22.408 -9.967 16.035
{c tyr 363}23.163 -8.881 16.827
{o tyr 363}23.02 -7.66 16.631
{c tyr 363}P 23.163 -8.881 16.827
{n ala 364}23.965 -9.33 17.779
{ca ala 364}24.749 -8.434 18.601
{c ala 364}25.767 -7.683 17.747
{o ala 364}26.033 -6.517 17.996
{c ala 364}P 25.767 -7.683 17.747
{n asp 365}26.343 -8.354 16.713
{ca asp 365}27.261 -7.657 15.874
{c asp 365}26.492 -6.659 15.056
{o asp 365}26.961 -5.588 14.8
{c asp 365}P 26.492 -6.659 15.056
{n phe 366}25.274 -7.013 14.653
{ca phe 366}24.493 -6.047 13.913
{c phe 366}24.297 -4.758 14.728
{o phe 366}24.686 -3.674 14.291
{c phe 366}P 24.297 -4.758 14.728
{n ile 367}23.688 -4.895 15.921
{ca ile 367}23.386 -3.774 16.846
{c ile 367}24.542 -2.822 17.167
{o ile 367}24.343 -1.632 17.403
{c ile 367}P 24.542 -2.822 17.167
{n ala 368}25.768 -3.355 17.161
{ca ala 368}26.94 -2.554 17.456
{c ala 368}27.527 -1.979 16.198
{o ala 368}28.524 -1.273 16.24
{c ala 368}P 27.527 -1.979 16.198
{n ser 369}26.955 -2.305 15.052
{ca ser 369}27.529 -1.79 13.792
{c ser 369}27.143 -0.327 13.458
{o ser 369}26.231 0.3 13.993
{c ser 369}P 27.143 -0.327 13.458
{n gly 370}27.797 0.256 12.509
{ca gly 370}27.39 1.61 12.222
{c gly 370}26.239 1.744 11.23
{o gly 370}26.05 2.835 10.728
{c gly 370}P 26.239 1.744 11.23
{n arg 371}25.461 0.675 10.956
{ca arg 371}24.36 0.792 10.01
{c arg 371}23.008 0.265 10.459
{o arg 371}22.313 -0.417 9.674
{c arg 371}P 23.008 0.265 10.459
{n thr 372}22.642 0.621 11.679
{ca thr 372}21.378 0.222 12.265
{c thr 372}20.335 1.332 12.055
{o thr 372}19.126 1.158 12.226
{c thr 372}P 20.335 1.332 12.055
{n gly 373}20.823 2.517 11.691
{ca gly 373}19.907 3.614 11.463
{c gly 373}19.4 3.558 10.018
{o gly 373}19.764 2.658 9.281
{c gly 373}P 19.4 3.558 10.018
{n arg 374}18.567 4.52 9.644
{ca arg 374}18.009 4.588 8.325
{c arg 374}19.132 4.698 7.33
{o arg 374}20.014 5.551 7.477
{c arg 374}P 19.132 4.698 7.33
{n arg 375}19.089 3.845 6.308
{ca arg 375}20.122 3.881 5.282
{c arg 375}19.685 4.722 4.073
{o arg 375}18.569 4.602 3.567
{c arg 375}P 19.685 4.722 4.073
{n ala 376}20.579 5.58 3.595
{ca ala 376}20.284 6.42 2.444
{c ala 376}20.602 5.698 1.166
{o ala 376}21.437 4.757 1.18
{c ala 376}P 20.602 5.698 1.166
{n ser 377}19.93 6.175 0.102
{ca ser 377}20.057 5.659 -1.251
{c ser 377}21.22 6.293 -1.891
{o ser 377}21.406 7.497 -1.737
{c ser 377}P 21.22 6.293 -1.891
{n ile 378}21.992 5.481 -2.61
{ca ile 378}23.146 5.981 -3.311
{c ile 378}22.855 6.165 -4.787
{o ile 378}21.817 5.7 -5.264
{c ile 378}P 22.855 6.165 -4.787
{n his 379}23.786 6.867 -5.462
{ca his 379}23.781 7.193 -6.881
{c his 379}25.187 7.577 -7.312
{o his 379}25.827 8.409 -6.676
{c his 379}P 25.187 7.577 -7.312
{n asp 380}25.667 6.956 -8.391
{ca asp 380}27.003 7.169 -8.956
{c asp 380}28.178 7.291 -7.981
{o asp 380}29.337 7.01 -8.421
{c asp 380}P 28.178 7.291 -7.981
{oxt asp 380}27.944 7.641 -6.787
{ca thr 361}P 25.62 -13.453 18.183
{cb thr 361}24.246 -13.28 18.778
{og1 thr 361}24.074 -11.906 19.087
{cb thr 361}P 24.246 -13.28 18.778
{cg2 thr 361}24.227 -14.041 20.06
{ca thr 362}P 25.262 -12.059 14.728
{cb thr 362}24.751 -12.879 13.552
{og1 thr 362}25.697 -13.918 13.326
{cb thr 362}P 24.751 -12.879 13.552
{cg2 thr 362}24.698 -11.938 12.372
{ca tyr 363}P 22.408 -9.967 16.035
{cb tyr 363}21.357 -10.498 17.022
{cg tyr 363}20.277 -9.48 17.059
{cd1 tyr 363}19.906 -8.752 18.194
{ce1 tyr 363}18.89 -7.796 18.108
{cz tyr 363}18.275 -7.56 16.873
{oh tyr 363}17.281 -6.645 16.709
{cg tyr 363}P 20.277 -9.48 17.059
{cd2 tyr 363}19.662 -9.22 15.837
{ce2 tyr 363}18.658 -8.262 15.738
{cz tyr 363}18.275 -7.56 16.873
{ca ala 364}P 24.749 -8.434 18.601
{cb ala 364}25.411 -9.204 19.719
{ca asp 365}P 27.261 -7.657 15.874
{cb asp 365}28.13 -8.548 15.023
{cg asp 365}28.854 -9.57 15.838
{od1 asp 365}29.344 -9.343 16.901
{cg asp 365}P 28.854 -9.57 15.838
{od2 asp 365}28.935 -10.754 15.251
{ca phe 366}P 24.493 -6.047 13.913
{cb phe 366}23.099 -6.588 13.515
{cg phe 366}22.333 -5.573 12.664
{cd1 phe 366}22.868 -5.007 11.512
{ce1 phe 366}22.139 -4.081 10.765
{cz phe 366}20.866 -3.688 11.188
{cg phe 366}P 22.333 -5.573 12.664
{cd2 phe 366}21.052 -5.192 13.055
{ce2 phe 366}20.323 -4.246 12.341
{cz phe 366}20.866 -3.688 11.188
{ca ile 367}P 23.386 -3.774 16.846
{cb ile 367}22.648 -4.269 18.102
{cg2 ile 367}22.221 -3.154 19.046
{cb ile 367}P 22.648 -4.269 18.102
{cg1 ile 367}21.419 -5.001 17.658
{cd1 ile 367}20.444 -4.15 16.83
{ca ala 368}P 26.94 -2.554 17.456
{cb ala 368}28.033 -3.428 18.081
{ca ser 369}P 27.529 -1.79 13.792
{cb ser 369}27.074 -2.684 12.668
{og ser 369}25.719 -2.371 12.426
{ca arg 371}P 24.36 0.792 10.01
{cb arg 371}24.703 0.15 8.697
{cg arg 371}25.836 0.878 8.004
{cd arg 371}25.931 0.397 6.57
{ne arg 371}26.273 1.5 5.732
{cz arg 371}25.465 1.906 4.799
{nh1 arg 371}24.299 1.284 4.602
{cz arg 371}P 25.465 1.906 4.799
{nh2 arg 371}25.812 2.943 4.028
{ca thr 372}P 21.378 0.222 12.265
{cb thr 372}21.604 -0.092 13.741
{og1 thr 372}22.07 1.112 14.356
{cb thr 372}P 21.604 -0.092 13.741
{cg2 thr 372}22.684 -1.177 13.873
{ca arg 374}P 18.009 4.588 8.325
{cb arg 374}17.132 5.818 8.245
{cg arg 374}15.826 5.649 9.012
{cd arg 374}15.032 6.942 9.137
{ne arg 374}14.021 7.14 8.102
{cz arg 374}14.174 7.986 7.081
{nh1 arg 374}15.262 8.728 6.943
{cz arg 374}P 14.174 7.986 7.081
{nh2 arg 374}13.2 8.097 6.198
{ca arg 375}P 20.122 3.881 5.282
{cb arg 375}20.448 2.481 4.815
{cg arg 375}21.032 1.591 5.907
{cd arg 375}20.616 0.128 5.728
{ne arg 375}19.149 -0.029 5.801
{cz arg 375}18.505 -1.182 6.045
{nh1 arg 375}17.215 -1.272 6.082
{cz arg 375}P 18.505 -1.182 6.045
{nh2 arg 375}19.203 -2.294 6.277
{ca ala 376}P 20.284 6.42 2.444
{cb ala 376}21.112 7.68 2.443
{ca ser 377}P 20.057 5.659 -1.251
{cb ser 377}18.865 6.033 -2.109
{og ser 377}17.655 5.666 -1.422
{ca ile 378}P 23.146 5.981 -3.311
{cb ile 378}24.417 5.175 -3.076
{cg2 ile 378}24.855 5.364 -1.636
{cb ile 378}P 24.417 5.175 -3.076
{cg1 ile 378}24.196 3.699 -3.345
{cd1 ile 378}24.771 3.248 -4.677
{ca his 379}P 23.781 7.193 -6.881
{cb his 379}22.728 8.266 -7.284
{cg his 379}22.754 9.502 -6.43
{cd2 his 379}23.792 10.308 -6.089
{ne2 his 379}23.277 11.297 -5.28
{ce1 his 379}21.967 11.096 -5.141
{cg his 379}P 22.754 9.502 -6.43
{nd1 his 379}21.594 10.014 -5.822
{ce1 his 379}21.967 11.096 -5.141
{ne2 his 379}23.277 11.297 -5.28
{ne2 his 379}P 23.277 11.297 -5.28
{ce1 his 379}21.967 11.096 -5.141
{ca asp 380}P 27.003 7.169 -8.956
{cb asp 380}27.078 8.089 -10.197
{cg asp 380}27.584 9.489 -9.932
{od1 asp 380}28.231 10.136 -10.733
{cg asp 380}P 27.584 9.489 -9.932
{od2 asp 380}27.216 9.96 -8.751
@subgroup {ADP} dominant
@vectorlist {ADP} color=yellow
{p adp 381}P 11.149 9.545 0.246
{p adp 381}11.149 9.545 0.246
{o1p adp 381}9.889 9.279 -0.497
{p adp 381}P 11.149 9.545 0.246
{o2p adp 381}12.01 8.36 0.477
{p adp 381}P 11.149 9.545 0.246
{o5' adp 381}10.803 10.199 1.676
{c5' adp 381}11.544 9.942 2.893
{c4' adp 381}10.623 9.513 4.023
{o4' adp 381}9.405 10.317 4.02
{c1' adp 381}8.35 9.572 4.604
{c2' adp 381}8.97 8.211 4.973
{o2' adp 381}9.538 8.288 6.267
{c4' adp 381}P 10.623 9.513 4.023
{c3' adp 381}10.086 8.096 3.96
{o3' adp 381}11.085 7.172 4.47
{c2' adp 381}P 8.97 8.211 4.973
{c3' adp 381}10.086 8.096 3.96
{c3' adp 381}P 10.086 8.096 3.96
{c2' adp 381}8.97 8.211 4.973
{o6 adp 381}P 11.985 10.633 -0.572
{p2 adp 381}13.486 11.176 -0.501
{op5 adp 381}13.788 12.102 -1.654
{p2 adp 381}P 13.486 11.176 -0.501
{op4 adp 381}14.387 9.989 -0.306
{p adp 381}P 11.149 9.545 0.246
{o6 adp 381}11.985 10.633 -0.572
{p2 adp 381}P 13.486 11.176 -0.501
{o7 adp 381}13.306 12.078 0.845
{c1' adp 381}P 8.35 9.572 4.604
{n9 adp 381}7.204 9.487 3.693
{c4 adp 381}5.878 9.464 4.027
{n3 adp 381}5.36 9.538 5.249
{c2 adp 381}4.014 9.514 5.191
{n1 adp 381}3.213 9.396 4.097
{c6 adp 381}3.777 9.302 2.865
{n6 adp 381}3.008 9.169 1.751
{c4 adp 381}P 5.878 9.464 4.027
{c5 adp 381}5.186 9.337 2.829
{n7 adp 381}6.063 9.239 1.777
{c8 adp 381}7.23 9.337 2.34
{c8 adp 381}P 7.23 9.337 2.34
{n7 adp 381}6.063 9.239 1.777
{n9 adp 381}P 7.204 9.487 3.693
{c8 adp 381}7.23 9.337 2.34
{n7 adp 381}6.063 9.239 1.777
{p2 adp 381}P 13.486 11.176 -0.501
{o6 adp 381}11.985 10.633 -0.572
{c6 adp 381}P 3.777 9.302 2.865
{c5 adp 381}5.186 9.337 2.829
{c5 adp 381}P 5.186 9.337 2.829
{c6 adp 381}3.777 9.302 2.865
@subgroup {Lobes} dominant
@labellist {lobes} color=white
{ SMALL LOBE}-5.281 30.378 -0.433
{ LARGE LOBE}27.655 -19.508 0.396
@subgroup {Hbnd/SaltBr} nobutton
@vectorlist {Hbnd/SaltBr} nobutton color=brown master= {Hbnd/SaltBr} off
{nz lys 72}P U 11.083 10.604 -3.461
{od1 asp 184}U 11.766 8.605 -3.535
{nd2 asn 171}P U 13.179 2.97 -0.902
{o asp 166}U 13.568 1.504 -1.683
{og ser 377}P U 17.227 5.336 -1.682
{od1 asp 166}U 16.16 4.514 -2.33
{nz lys 168}P U 17.321 4.397 0.584
{og ser 377}U 17.571 5.348 -0.92
{nz lys 168}P U 17.583 3.668 0.818
{og1 thr 201}U 18.515 2.561 0.098
@subgroup {Labels} nobutton  
@labellist {labels} nobutton color=white master= {Labels} off
{ K72}7.62 17.442 -2.421
{ D166}11.932 2.184 -5.09
{ K168}12.252 -2.827 2.787
{ N171}8.014 0.209 1.865
{ D184}13.294 7.01 -2.099
{ F187}17.218 9.193 -5.84
{ T201}21.354 -1.104 -1.227
{ R375}20.616 0.128 5.728
{ A376}22.437 4.757 1.18
{ S377}20.257 5.159 -1.251
{ I378}22.855 7.165 -4.787
@kinemage 2
@caption  
Calpha trace of the binary complex of the catalytic subunit (res. 6-350) of cAMP-dependent protein kinase.  The enzyme is displayed in bluetint and the product peptide in magenta.  The Gly-rich loop is highlighted in blue.  Select 'view2', 'Active Site', & 'Labels', then turn off 'Calphas' for a good look at the substrates and important sidechains (skyblue) around the P-site.  Turn on 'Hbnd/SaltBr' (brown) to examine the interactions in this region.  Toggle the 'peptide' button to see which peptide residue
s interact with the enzyme; the phosphate on the product peptide is shown in yellow.
@onewidth  
@2zoom 2.73  
@2zslab 210  
@2center 14.263 5.223 1.289  
@2matrix  
0.901518 0.423784 0.087599 -0.380599 0.680141 0.626540 0.205938 -0.598177 0.774451  
@group {BINARY}  
@subgroup {Calphas} dominant
@vectorlist {ca} color= bluetint  
{ca ala 12}P -4.907 -16.995 -13.174
{ca ala 12}-4.907 -16.995 -13.174
{ca glu 13}-6.415 -15.674 -16.274
{ca ala 14}-8.321 -13.124 -14.253
{ca val 15}-4.906 -11.688 -13.312
{ca ala 16}-3.734 -11.472 -16.903
{ca ala 17}-6.946 -9.704 -17.792
{ca phe 18}-6.614 -7.426 -14.857
{ca leu 19}-3.179 -6.425 -15.755
{ca ala 20}-4.349 -5.736 -19.329
{ca ala 21}-6.902 -3.134 -18.382
{ca ala 22}-4.493 -1.726 -15.86
{ca lys 23}-1.796 -1.235 -18.505
{ca ala 24}-4.284 0.679 -20.589
{ca ala 25}-5.1 3.044 -17.8
{ca phe 26}-1.433 3.632 -17.041
{ca leu 27}-0.623 4.306 -20.647
{ca ala 28}-3.273 6.976 -20.992
{ca lys 29}-1.644 8.828 -18.096
{ca trp 30}1.939 7.927 -19.125
{ca ala 31}1.492 9.569 -22.475
{ca thr 32}-0.411 12.594 -21.163
{ca pro 33}0.674 13.752 -17.631
{ca ser 34}-0.655 16.126 -15.061
{ca gln 35}1.018 19.479 -14.405
{ca asn 36}0.7 22.242 -11.745
{ca thr 37}-2.39 21.168 -9.823
{ca ala 38}-1.776 23.054 -6.643
{ca gln 39}0.135 25.871 -4.993
{ca leu 40}2.275 26.104 -2.026
{ca asp 41}-0.103 28.435 -0.247
{ca gln 42}-3.027 26.12 -0.505
{ca phe 43}-1.348 24.196 2.359
{ca asp 44}0.082 24.578 5.875
{ca ala 45}3.387 23.111 6.878
{ca ile 46}2.807 20.982 9.895
{ca lys 47}5.966 18.909 10.549
{ca thr 48}8.923 17.407 8.685
{ca leu 49}8.512 13.544 8.419
{ca gly 50}11.729 12.591 6.842
{ca thr 51}14.794 13.949 5.196
{ca gly 52}16.352 12.944 2.04
{ca ala 53}19.257 13.503 -0.199
{ca phe 54}17.874 16.265 -2.318
{ca gly 55}14.752 17.114 -0.327
{ca arg 56}12.538 16.509 2.63
{ca val 57}9.07 15.202 3.404
{ca met 58}6.592 17.214 5.305
{ca leu 59}3.164 16.736 6.814
{ca val 60}1.108 19.346 5.243
{ca lys 61}-2.473 20.53 5.549
{ca his 62}-4.7 21.523 2.688
{ca lys 63}-6.601 24.612 3.523
{ca ala 64}-9.536 24.086 1.26
{ca ser 65}-10.268 20.678 2.458
{ca gly 66}-8.568 20.355 5.842
{ca asn 67}-7.003 17.097 4.68
{ca his 68}-3.48 16.087 5.526
{ca tyr 69}-0.908 15. 3.009
{ca ala 70}2.764 14.279 2.797
{ca met 71}4.446 16.717 0.642
{ca lys 72}7.696 15.858 -1.001
{ca ile 73}9.942 18.874 -1.629
{ca leu 74}12.982 18.658 -4.033
{ca asp 75}15.557 21.417 -4.403
{ca lys 76}15.979 22.196 -8.066
{ca gln 77}19.5 23.026 -7.547
{ca lys 78}20.537 20.019 -5.575
{ca val 79}18.696 17.697 -7.975
{ca val 80}20.786 19.36 -10.576
{ca lys 81}24.288 19.194 -8.987
{ca leu 82}23.482 15.519 -8.053
{ca ala 83}22.6 14.849 -11.722
{ca gln 84}19.225 13.392 -10.71
{ca ile 85}17.269 15.254 -13.292
{ca ala 86}16.02 12.29 -15.255
{ca his 87}15.305 10.355 -12.15
{ca thr 88}13.088 13.231 -10.814
{ca leu 89}11.162 13.442 -14.031
{ca asn 90}10.656 9.625 -14.001
{ca glu 91}9.463 9.527 -10.438
{ca lys 92}6.786 12.143 -11.057
{ca arg 93}5.767 10.927 -14.503
{ca ile 94}5.392 7.316 -13.174
{ca leu 95}3.747 8.184 -9.878
{ca gln 96}1.004 10.216 -11.509
{ca ala 97}0.237 7.266 -13.78
{ca val 98}0.119 4.214 -11.549
{ca asn 99}-2.715 2.931 -9.36
{ca phe 100}-2.353 0.005 -7.093
{ca pro 101}-3.657 -0.655 -3.642
{ca phe 102}-0.239 -0.851 -2.188
{ca leu 103}1.16 2.206 -3.847
{ca val 104}1.193 5.641 -2.25
{ca lys 105}-1.235 7.856 -4.143
{ca leu 106}0.068 11.109 -5.696
{ca glu 107}-2.564 13.83 -5.334
{ca phe 108}-0.904 16.998 -6.393
{ca ser 109}2.172 18.196 -8.138
{ca phe 110}3.695 21.618 -8.766
{ca lys 111}6.882 23.663 -8.689
{ca asp 112}8.129 27.105 -8.122
{ca asn 113}11.191 29.219 -8.448
{ca ser 114}13.392 26.93 -6.445
{ca asn 115}11.534 23.687 -5.764
{ca leu 116}9.6 20.712 -7.121
{ca tyr 117}6.552 19.483 -5.232
{ca met 118}4.829 16.195 -4.983
{ca val 119}1.834 15.973 -2.71
{ca met 120}0.758 12.515 -1.628
{ca glu 121}-1.667 11.169 0.851
{ca tyr 122}-0.496 10.882 4.413
{ca val 123}0.211 7.313 5.782
{ca ala 124}0.371 7.775 9.466
{ca gly 125}1.519 4.348 10.561
{ca gly 126}5.133 5.405 9.845
{ca glu 127}7.824 3.319 8.16
{ca met 128}8.119 -0.434 8.599
{ca phe 129}11.7 0.308 9.438
{ca ser 130}10.794 1.87 12.784
{ca his 131}8.665 -1.054 13.859
{ca leu 132}11.064 -3.604 12.584
{ca arg 133}13.908 -2.088 14.563
{ca arg 134}11.885 -1.457 17.675
{ca ile 135}10.476 -4.991 17.762
{ca gly 136}13.66 -6.602 16.431
{ca arg 137}12.242 -9.081 13.966
{ca phe 138}8.932 -10.286 12.688
{ca ser 139}7.422 -13.761 12.887
{ca glu 140}7.393 -15.609 9.599
{ca pro 141}3.696 -15.259 9.173
{ca his 142}3.971 -11.525 9.804
{ca ala 143}6.735 -11.017 7.304
{ca arg 144}4.97 -13.275 4.835
{ca phe 145}1.954 -10.959 5.107
{ca tyr 146}4.127 -8.068 4.014
{ca ala 147}5.965 -10.008 1.269
{ca ala 148}2.768 -11.038 -0.276
{ca gln 149}1.875 -7.367 -0.842
{ca ile 150}5.201 -6.55 -2.396
{ca val 151}5.094 -9.621 -4.668
{ca leu 152}1.817 -8.375 -6.023
{ca thr 153}3.029 -4.824 -6.223
{ca phe 154}5.992 -5.942 -8.265
{ca glu 155}3.782 -8.046 -10.398
{ca tyr 156}1.851 -4.995 -11.359
{ca leu 157}4.841 -2.729 -11.714
{ca his 158}6.898 -5.127 -13.672
{ca ser 159}3.921 -5.442 -15.958
{ca leu 160}4.11 -1.864 -16.867
{ca asp 161}7.763 -2.276 -17.978
{ca leu 162}8.76 -0.66 -14.716
{ca ile 163}11.685 -1.337 -12.302
{ca tyr 164}11.389 0.079 -8.856
{ca arg 165}14.973 -0.191 -7.649
{ca asp 166}14.725 1.079 -4.098
{ca leu 167}13.216 -1.612 -1.921
{ca lys 168}13.977 -1.222 1.813
{ca pro 169}11.952 -1.083 5.057
{ca glu 170}12.502 2.656 5.099
{ca asn 171}10.29 2.863 1.972
{ca leu 172}7.311 0.795 2.945
{ca leu 173}4.827 2.706 5.001
{ca ile 174}2.139 1.114 7.157
{ca asp 175}-1.413 2.416 6.773
{ca gln 176}-4.426 2.471 9.229
{ca gln 177}-5.271 -1.112 8.406
{ca gly 178}-1.756 -2.403 8.774
{ca tyr 179}-1.386 -2.669 5.064
{ca ile 180}1.762 -1.419 3.358
{ca gln 181}2.161 1.496 0.99
{ca val 182}5.236 1.76 -1.206
{ca thr 183}6.768 5.173 -1.253
{ca asp 184}9.76 6.796 -3.021
{ca phe 185}9.805 6.141 -6.829
{ca gly 186}12.975 8.202 -7.114
{ca phe 187}14.753 5.357 -8.944
{ca ala 188}11.723 3.981 -10.733
{ca lys 189}12.289 3.646 -14.439
{ca arg 190}10.185 2.48 -17.375
{ca val 191}12.379 0.297 -19.479
{ca lys 192}11.903 -2.351 -22.061
{ca gly 193}15.306 -3.886 -22.089
{ca arg 194}18.363 -3.299 -19.878
{ca thr 195}19.552 -0.357 -17.744
{ca trp 196}22.878 0.402 -16.223
{ca thp 197}22.576 2.979 -13.541
{ca leu 198}24.303 2.385 -10.337
{ca cys 199}21.626 3.129 -7.803
{ca gly 200}19.79 1.688 -4.783
{ca thr 201}20.793 1.087 -1.217
{ca pro 202}23.9 -0.859 -0.529
{ca glu 203}22.458 -3.767 1.437
{ca tyr 204}19.827 -4.199 -1.204
{ca leu 205}21.887 -4.069 -4.44
{ca ala 206}21.998 -7.143 -6.755
{ca pro 207}25.413 -8.302 -7.922
{ca glu 208}24.659 -7.396 -11.46
{ca ile 209}24.237 -3.838 -10.387
{ca ile 210}27.426 -3.925 -8.314
{ca leu 211}29.301 -5.539 -11.169
{ca ser 212}28.036 -2.969 -13.696
{ca lys 213}26.581 -5.743 -15.792
{ca gly 214}23.466 -4.136 -17.149
{ca tyr 215}20.37 -5.268 -15.442
{ca asn 216}16.74 -5.859 -15.651
{ca lys 217}13.682 -6.255 -13.358
{ca ala 218}15.244 -9.328 -11.813
{ca val 219}17.113 -6.914 -9.431
{ca asp 220}13.759 -6.202 -7.764
{ca trp 221}13.429 -9.854 -6.923
{ca trp 222}16.784 -10.137 -5.354
{ca ala 223}15.626 -7.053 -3.36
{ca leu 224}12.625 -8.948 -2.076
{ca gly 225}14.844 -11.741 -0.937
{ca val 226}16.757 -9.22 1.116
{ca leu 227}13.595 -7.597 2.465
{ca ile 228}12.237 -10.966 3.575
{ca tyr 229}15.419 -12.087 5.183
{ca glu 230}15.818 -8.76 6.949
{ca met 231}12.325 -8.8 8.385
{ca ala 232}12.446 -12.384 9.7
{ca ala 233}15.97 -12.244 10.934
{ca gly 234}15.828 -8.653 12.047
{ca tyr 235}19.163 -8.021 10.194
{ca pro 236}20.118 -8.012 6.553
{ca pro 237}21.931 -10.996 4.964
{ca phe 238}24.953 -8.808 4.057
{ca phe 239}26.125 -6.087 6.355
{ca ala 240}29.298 -4.29 7.297
{ca asp 241}30.344 -0.738 8.362
{ca ala 242}31.412 0.525 4.919
{ca pro 243}29.568 -0.223 1.696
{ca ile 244}32.693 -1.702 0.211
{ca gln 245}32.673 -4.42 2.677
{ca ile 246}29.027 -5.172 1.728
{ca tyr 247}29.547 -5.223 -1.975
{ca glu 248}32.147 -7.914 -1.343
{ca lys 249}29.75 -10.186 0.483
{ca ile 250}27.013 -9.695 -2.055
{ca val 251}28.985 -10.775 -4.979
{ca ser 252}30.754 -13.492 -3.067
{ca gly 253}27.588 -15.641 -3.113
{ca lys 254}27.615 -16.714 0.546
{ca val 255}24.551 -16.494 2.662
{ca ala 256}24.034 -17.683 6.173
{ca phe 257}20.635 -18.066 7.639
{ca pro 258}19.378 -17.982 11.175
{ca ser 259}18.617 -21.326 12.846
{ca his 260}14.994 -20.227 13.294
{ca phe 261}14.255 -19.933 9.627
{ca ser 262}11.794 -22.417 8.437
{ca ser 263}13.124 -24.699 5.815
{ca asp 264}10.559 -23.403 3.338
{ca leu 265}11.83 -19.938 4.065
{ca lys 266}15.423 -20.83 3.616
{ca asp 267}14.403 -22.372 0.361
{ca leu 268}12.659 -19.431 -0.955
{ca leu 269}15.391 -17.052 0.03
{ca ala 270}17.94 -19.34 -1.459
{ca asn 271}16.168 -18.824 -4.751
{ca leu 272}15.705 -15.071 -4.549
{ca leu 273}19.19 -14.642 -3.48
{ca gln 274}20.421 -16.348 -6.575
{ca val 275}23.65 -14.625 -7.969
{ca ala 276}22.94 -16.244 -11.3
{ca leu 277}20.364 -14.192 -12.935
{ca ala 278}19.653 -17.29 -14.998
{ca ala 279}18.447 -19.183 -11.961
{ca arg 280}16.914 -16.441 -9.856
{ca phe 281}13.231 -16.89 -8.992
{ca gly 282}11.087 -14.27 -10.747
{ca asn 283}13.358 -14.122 -13.814
{ca leu 284}12.478 -17.589 -15.15
{ca lys 285}9.963 -18.719 -17.614
{ca asn 286}6.902 -18.555 -15.299
{ca gly 287}8.196 -15.464 -13.545
{ca val 288}6.147 -14.395 -10.548
{ca asn 289}4.408 -17.808 -10.463
{ca asp 290}7.636 -19.5 -9.402
{ca ile 291}7.219 -17.26 -6.322
{ca lys 292}3.456 -17.185 -5.669
{ca asn 293}3.46 -20.993 -5.818
{ca his 294}6.323 -21.642 -3.401
{ca lys 295}5.546 -23.726 -0.3
{ca trp 296}6.367 -20.702 1.923
{ca phe 297}3.303 -18.884 0.506
{ca ala 298}1.108 -21.953 0.296
{ca thr 299}-1.16 -20.376 2.946
{ca thr 300}-1.515 -17.044 1.244
{ca asp 301}-4.714 -16.212 -0.682
{ca trp 302}-3.42 -13.686 -3.125
{ca ile 303}-6.805 -12.548 -4.003
{ca ala 304}-7.606 -11.807 -0.389
{ca ile 305}-4.526 -9.854 0.128
{ca tyr 306}-5.084 -7.786 -2.94
{ca gln 307}-8.576 -7.057 -1.722
{ca arg 308}-7.32 -6.063 1.761
{ca lys 309}-9.417 -8.782 3.338
{ca val 310}-6.819 -10.432 5.43
{ca ala 311}-6.54 -9.484 9.033
{ca ala 312}-3.288 -7.599 9.65
{ca pro 313}-0.851 -8.949 12.257
{ca phe 314}-0.27 -5.407 13.531
{ca ile 315}-2.187 -2.271 13.266
{ca pro 316}-0.572 0.772 14.418
{ca ala 317}-3.066 2.858 16.268
{ca ala 318}-3.637 6.365 15.115
{ca ala 319}-4.094 8.815 17.984
{ca gly 320}-6.03 11.139 15.746
{ca pro 321}-5.984 12.647 12.264
{ca gly 322}-2.789 14.477 11.621
{ca asp 323}-1.049 12.39 14.331
{ca thr 324}2.77 12.177 13.9
{ca ser 325}3.584 9.917 16.81
{ca asn 326}4.849 7.135 14.48
{ca phe 327}7.574 9.159 12.815
{ca asp 328}10.817 10.326 14.246
{ca asp 329}11.684 14.031 14.703
{ca tyr 330}13.791 16.193 12.48
{ca ala 331}15.016 19.822 12.762
{ca glu 332}12.748 22.21 10.904
{ca ala 333}14.441 23.997 8.069
{ca ala 334}12.246 26.562 6.395
{ca ile 335}11.076 26.456 2.841
{ca ala 336}12.971 29.18 1.079
{ca val 337}11.519 30.253 -2.248
{ca sep 338}13.776 32.28 -4.591
{ca ala 339}12.828 35.58 -6.331
{ca ala 340}14.364 34.449 -9.642
{ca glu 341}13.667 31.019 -11.235
{ca lys 342}16.072 28.225 -10.862
{ca cys 343}16.701 25.61 -13.586
{ca gly 344}13.627 26.233 -15.64
{ca ala 345}14.449 24.409 -18.889
{ca glu 346}15.678 21.407 -17.001
{ca phe 347}12.346 20.892 -15.325
{ca thr 348}10.104 22.05 -18.017
{ca glu 349}8.046 18.917 -18.139
{ca phe 350}7.527 18.585 -14.401
{ca thr 361}P 25.61 -13.535 17.958
{ca thr 361}25.61 -13.535 17.958
{ca thr 362}25.129 -11.993 14.528
{ca tyr 363}22.23 -9.989 15.821
{ca ala 364}24.475 -8.461 18.429
{ca asp 365}27.081 -7.736 15.692
{ca phe 366}24.48 -6.08 13.721
{ca ile 367}23.349 -3.873 16.607
{ca ala 368}26.773 -2.58 17.389
{ca ser 369}27.298 -1.84 13.689
{ca gly 370}27.327 1.511 12.
{ca arg 371}24.468 0.773 9.7
{ca thr 372}21.669 0.26 12.132
{ca gly 373}19.889 3.444 11.198
{ca arg 374}18.161 4.632 8.074
{ca arg 375}20.076 3.879 4.981
{ca ala 376}20.61 6.471 2.353
{ca sep 377}20.274 5.488 -1.274
{ca ile 378}23.378 5.764 -3.504
{ca his 379}23.711 7.307 -7.015
{ca asp 380}26.734 7.346 -9.248
@vectorlist {G-rich loop} color=blue
{ca gly 50}P 11.729 12.591 6.842
{ca thr 51}14.794 13.949 5.196
{ca gly 52}16.352 12.944 2.04
{ca ala 53}19.257 13.503 -0.199
{ca phe 54}17.874 16.265 -2.318
{ca gly 55}14.752 17.114 -0.327
@subgroup {Active Site} nobutton  
@vectorlist {Main ch} nobutton color= bluetint master= {Active Site} off
{n lys 72}P 6.305 16.082 -0.722
{n lys 72}6.305 16.082 -0.722
{ca lys 72}7.696 15.858 -1.001
{c lys 72}8.256 17.144 -1.607
{o lys 72}7.676 17.69 -2.567
{n asp 166}P 14.345 0.558 -5.388
{n asp 166}14.345 0.558 -5.388
{ca asp 166}14.725 1.079 -4.098
{c asp 166}13.998 0.425 -2.945
{o asp 166}13.538 1.105 -2.053
{n lys 168}P 13.423 -1.307 0.469
{n lys 168}13.423 -1.307 0.469
{ca lys 168}13.977 -1.222 1.813
{c lys 168}12.831 -0.942 2.761
{o lys 168}11.819 -0.377 2.352
{n asn 171}P 11.224 2.43 3.036
{n asn 171}11.224 2.43 3.036
{ca asn 171}10.29 2.863 1.972
{c asn 171}8.878 2.279 1.976
{o asn 171}8.045 2.606 1.134
{n asp 184}P 8.449 6.568 -2.402
{n asp 184}8.449 6.568 -2.402
{ca asp 184}9.76 6.796 -3.021
{c asp 184}10.1 5.988 -4.309
{o asp 184}10.774 4.946 -4.283
{n phe 187}P 13.913 6.18 -8.074
{n phe 187}13.913 6.18 -8.074
{ca phe 187}14.753 5.357 -8.944
{c phe 187}13.909 4.558 -9.942
{o phe 187}14.445 3.849 -10.779
{n thr 201}P 20.253 0.988 -2.543
{n thr 201}20.253 0.988 -2.543
{ca thr 201}20.793 1.087 -1.217
{c thr 201}21.706 -0.119 -0.997
{o thr 201}21.301 -1.276 -1.121
@vectorlist {peptide} nobutton color=magenta master= {Active Site} off
{ca arg 375}20.076 3.879 4.981
{c arg 375}19.743 4.746 3.779
{o arg 375}18.683 4.705 3.156
{c arg 375}P 19.743 4.746 3.779
{n ala 376}20.719 5.558 3.455
{ca ala 376}20.61 6.471 2.353
{c ala 376}20.814 5.729 1.059
{o ala 376}21.578 4.775 1.019
{c ala 376}P 20.814 5.729 1.059
{n sep 377}20.118 6.134 -0.001
{ca sep 377}20.274 5.488 -1.274
{c sep 377}21.454 6.143 -1.979
{o sep 377}21.71 7.334 -1.778
{c sep 377}P 21.454 6.143 -1.979
{n ile 378}22.202 5.334 -2.738
{ca ile 378}23.378 5.764 -3.504
{c ile 378}22.97 6.164 -4.914
{o ile 378}21.856 5.849 -5.338
@vectorlist {Side ch} nobutton color= skyblue master= {Active Site} off
{ca lys 72}P 7.696 15.858 -1.001
{cb lys 72}7.9 14.682 -1.949
{cg lys 72}9.374 14.329 -2.053
{cd lys 72}9.578 12.952 -2.664
{ce lys 72}11.054 12.616 -2.839
{nz lys 72}11.252 11.366 -3.589
{ca asp 166}P 14.725 1.079 -4.098
{cb asp 166}14.618 2.626 -4.081
{cg asp 166}15.519 3.296 -3.072
{od1 asp 166}16.531 2.773 -2.613
{cg asp 166}P 15.519 3.296 -3.072
{od2 asp 166}15.081 4.491 -2.702
{ca lys 168}P 13.977 -1.222 1.813
{cb lys 168}14.998 -0.084 1.849
{cg lys 168}14.332 1.281 1.871
{cd lys 168}14.991 2.314 0.979
{ce lys 168}16.444 2.546 1.329
{nz lys 168}16.856 3.922 0.997
{ca asn 171}P 10.29 2.863 1.972
{cb asn 171}10.875 2.814 0.519
{cg asn 171}12.034 3.749 0.197
{od1 asn 171}12.269 4.795 0.845
{cg asn 171}P 12.034 3.749 0.197
{nd2 asn 171}12.748 3.375 -0.85
{ca asp 184}P 9.76 6.796 -3.021
{cb asp 184}10.873 6.75 -1.943
{cg asp 184}12.203 7.326 -2.384
{od1 asp 184}13.306 7.057 -1.881
{cg asp 184}P 12.203 7.326 -2.384
{od2 asp 184}12.037 8.12 -3.391
{ca phe 187}P 14.753 5.357 -8.944
{cb phe 187}15.616 4.375 -8.127
{cg phe 187}16.675 5.168 -7.463
{cd1 phe 187}17.344 6.089 -8.257
{ce1 phe 187}18.34 6.889 -7.705
{cz phe 187}18.659 6.765 -6.351
{cg phe 187}P 16.675 5.168 -7.463
{cd2 phe 187}16.989 5.063 -6.103
{ce2 phe 187}17.986 5.856 -5.535
{cz phe 187}18.659 6.765 -6.351
{ca thr 201}P 20.793 1.087 -1.217
{cb thr 201}19.699 1.227 -0.139
{og1 thr 201}18.707 2.152 -0.547
{cb thr 201}P 19.699 1.227 -0.139
{cg2 thr 201}20.356 1.752 1.128
@vectorlist {peptide} nobutton color=magenta master= {Active Site} off
{ca arg 375}P 20.076 3.879 4.981
{cb arg 375}20.741 2.555 4.644
{cg arg 375}20.702 1.481 5.765
{cd arg 375}19.421 0.652 5.657
{ne arg 375}19.538 -0.738 5.977
{cz arg 375}18.516 -1.595 6.021
{nh1 arg 375}17.233 -1.279 5.783
{cz arg 375}P 18.516 -1.595 6.021
{nh2 arg 375}18.825 -2.832 6.342
{ca ala 376}P 20.61 6.471 2.353
{cb ala 376}21.674 7.53 2.522
{ca sep 377}P 20.274 5.488 -1.274
{cb sep 377}19.011 5.558 -2.082
{og sep 377}18.519 6.884 -1.946
{pd sep 377}17.204 7.155 -1.089
{oe1 sep 377}16.445 8.242 -1.734
{pd sep 377}P 17.204 7.155 -1.089
{oe2 sep 377}16.284 5.986 -1.197
{pd sep 377}P 17.204 7.155 -1.089
{oe3 sep 377}17.618 7.347 0.329
{ca ile 378}P 23.378 5.764 -3.504
{cb ile 378}24.411 4.639 -3.585
{cg2 ile 378}24.754 4.262 -2.16
{cb ile 378}P 24.411 4.639 -3.585
{cg1 ile 378}23.82 3.396 -4.247
{cd1 ile 378}24.804 2.611 -5.095
@subgroup {peptide} dominant
@vectorlist {peptide} color=magenta
{ca thr 361}P 25.61 -13.535 17.958
{c thr 361}25.615 -12.465 16.853
{o thr 361}25.975 -11.323 17.052
{n thr 361}P 26.673 -13.285 18.901
{n thr 361}26.673 -13.285 18.901
{ca thr 361}25.61 -13.535 17.958
{c thr 361}P 25.615 -12.465 16.853
{n thr 362}25.201 -12.847 15.679
{ca thr 362}25.129 -11.993 14.528
{c thr 362}24.256 -10.771 14.768
{o thr 362}24.577 -9.657 14.361
{c thr 362}P 24.256 -10.771 14.768
{n tyr 363}23.169 -11.027 15.461
{ca tyr 363}22.23 -9.989 15.821
{c tyr 363}22.944 -8.913 16.659
{o tyr 363}22.831 -7.698 16.436
{c tyr 363}P 22.944 -8.913 16.659
{n ala 364}23.712 -9.368 17.619
{ca ala 364}24.475 -8.461 18.429
{c ala 364}25.476 -7.678 17.573
{o ala 364}25.673 -6.48 17.793
{c ala 364}P 25.476 -7.678 17.573
{n asp 365}26.111 -8.365 16.596
{ca asp 365}27.081 -7.736 15.692
{c asp 365}26.374 -6.683 14.872
{o asp 365}26.842 -5.555 14.636
{c asp 365}P 26.374 -6.683 14.872
{n phe 366}25.198 -7.043 14.473
{ca phe 366}24.48 -6.08 13.721
{c phe 366}24.303 -4.788 14.533
{o phe 366}24.722 -3.692 14.125
{c phe 366}P 24.303 -4.788 14.533
{n ile 367}23.661 -4.949 15.683
{ca ile 367}23.349 -3.873 16.607
{c ile 367}24.493 -2.925 16.927
{o ile 367}24.311 -1.727 17.075
{c ile 367}P 24.493 -2.925 16.927
{n ala 368}25.679 -3.454 17.064
{ca ala 368}26.773 -2.58 17.389
{c ala 368}27.391 -1.988 16.127
{o ala 368}28.377 -1.226 16.196
{c ala 368}P 27.391 -1.988 16.127
{n ser 369}26.798 -2.328 14.967
{ca ser 369}27.298 -1.84 13.689
{c ser 369}26.993 -0.345 13.38
{o ser 369}26.264 0.386 14.053
{c ser 369}P 26.993 -0.345 13.38
{n gly 370}27.571 0.143 12.33
{ca gly 370}27.327 1.511 12.
{c gly 370}26.148 1.679 11.056
{o gly 370}25.75 2.777 10.713
{c gly 370}P 26.148 1.679 11.056
{n arg 371}25.556 0.598 10.627
{ca arg 371}24.468 0.773 9.7
{c arg 371}23.137 0.329 10.228
{o arg 371}22.332 -0.259 9.536
{c arg 371}P 23.137 0.329 10.228
{n thr 372}22.907 0.633 11.491
{ca thr 372}21.669 0.26 12.132
{c thr 372}20.506 1.207 11.902
{o thr 372}19.306 0.873 12.117
{c thr 372}P 20.506 1.207 11.902
{n gly 373}20.867 2.407 11.466
{ca gly 373}19.889 3.444 11.198
{c gly 373}19.372 3.359 9.77
{o gly 373}19.519 2.33 9.066
{c gly 373}P 19.372 3.359 9.77
{n arg 374}18.748 4.479 9.381
{ca arg 374}18.161 4.632 8.074
{c arg 374}19.2 4.758 7.038
{o arg 374}20.057 5.616 7.131
{c arg 374}P 19.2 4.758 7.038
{n arg 375}19.115 3.872 6.06
{ca arg 375}20.076 3.879 4.981
{c arg 375}19.743 4.746 3.779
{o arg 375}18.683 4.705 3.156
{c arg 375}P 19.743 4.746 3.779
{n ala 376}20.719 5.558 3.455
{ca ala 376}20.61 6.471 2.353
{c ala 376}20.814 5.729 1.059
{o ala 376}21.578 4.775 1.019
{c ala 376}P 20.814 5.729 1.059
{n sep 377}20.118 6.134 -0.001
{ca sep 377}20.274 5.488 -1.274
{c sep 377}21.454 6.143 -1.979
{o sep 377}21.71 7.334 -1.778
{c sep 377}P 21.454 6.143 -1.979
{n ile 378}22.202 5.334 -2.738
{ca ile 378}23.378 5.764 -3.504
{c ile 378}22.97 6.164 -4.914
{o ile 378}21.856 5.849 -5.338
{c ile 378}P 22.97 6.164 -4.914
{n his 379}23.882 6.843 -5.625
{ca his 379}23.711 7.307 -7.015
{c his 379}25.089 7.637 -7.504
{o his 379}25.875 8.296 -6.806
{c his 379}P 25.089 7.637 -7.504
{n asp 380}25.401 7.139 -8.691
{ca asp 380}26.734 7.346 -9.248
{c asp 380}27.851 7.158 -8.192
{o asp 380}28.999 7.614 -8.418
{c asp 380}P 27.851 7.158 -8.192
{oxt asp 380}27.617 6.547 -7.11
{ca thr 361}P 25.61 -13.535 17.958
{cb thr 361}24.278 -13.608 18.707
{og1 thr 361}23.921 -12.302 19.106
{cb thr 361}P 24.278 -13.608 18.707
{cg2 thr 361}24.453 -14.476 19.947
{ca thr 362}P 25.129 -11.993 14.528
{cb thr 362}24.536 -12.847 13.432
{og1 thr 362}25.356 -13.993 13.297
{cb thr 362}P 24.536 -12.847 13.432
{cg2 thr 362}24.525 -12.043 12.152
{ca tyr 363}P 22.23 -9.989 15.821
{cb tyr 363}21.022 -10.528 16.573
{cg tyr 363}20.067 -9.412 16.846
{cd1 tyr 363}19.916 -8.898 18.135
{ce1 tyr 363}19.013 -7.859 18.364
{cz tyr 363}18.27 -7.32 17.311
{oh tyr 363}17.388 -6.297 17.549
{cg tyr 363}P 20.067 -9.412 16.846
{cd2 tyr 363}19.317 -8.863 15.805
{ce2 tyr 363}18.413 -7.825 16.019
{cz tyr 363}18.27 -7.32 17.311
{ca ala 364}P 24.475 -8.461 18.429
{cb ala 364}25.184 -9.226 19.525
{ca asp 365}P 27.081 -7.736 15.692
{cb asp 365}27.783 -8.729 14.783
{cg asp 365}28.631 -9.649 15.599
{od1 asp 365}29.044 -9.318 16.683
{cg asp 365}P 28.631 -9.649 15.599
{od2 asp 365}28.858 -10.809 15.044
{ca phe 366}P 24.48 -6.08 13.721
{cb phe 366}23.125 -6.668 13.361
{cg phe 366}22.42 -5.66 12.557
{cd1 phe 366}23.018 -5.086 11.438
{ce1 phe 366}22.326 -4.128 10.699
{cz phe 366}21.049 -3.722 11.089
{cg phe 366}P 22.42 -5.66 12.557
{cd2 phe 366}21.155 -5.24 12.948
{ce2 phe 366}20.462 -4.278 12.22
{cz phe 366}21.049 -3.722 11.089
{ca ile 367}P 23.349 -3.873 16.607
{cb ile 367}22.668 -4.44 17.878
{cg2 ile 367}22.294 -3.372 18.908
{cb ile 367}P 22.668 -4.44 17.878
{cg1 ile 367}21.429 -5.232 17.505
{cd1 ile 367}20.471 -4.417 16.678
{ca ala 368}P 26.773 -2.58 17.389
{cb ala 368}27.796 -3.264 18.309
{ca ser 369}P 27.298 -1.84 13.689
{cb ser 369}26.871 -2.766 12.571
{og ser 369}25.652 -2.352 12.007
{ca arg 371}P 24.468 0.773 9.7
{cb arg 371}24.843 0.175 8.359
{cg arg 371}26.042 0.894 7.739
{cd arg 371}26.363 0.417 6.323
{ne arg 371}25.236 0.586 5.44
{cz arg 371}25.14 1.624 4.633
{nh1 arg 371}26.088 2.548 4.601
{cz arg 371}P 25.14 1.624 4.633
{nh2 arg 371}24.066 1.738 3.846
{ca thr 372}P 21.669 0.26 12.132
{cb thr 372}21.877 -0.021 13.639
{og1 thr 372}22.891 -1.01 13.781
{cb thr 372}P 21.877 -0.021 13.639
{cg2 thr 372}20.578 -0.584 14.163
{ca arg 374}P 18.161 4.632 8.074
{cb arg 374}17.153 5.733 7.969
{cg arg 374}15.904 5.457 8.818
{cd arg 374}14.872 6.587 8.742
{ne arg 374}14.295 6.701 7.402
{cz arg 374}14.205 7.812 6.672
{nh1 arg 374}14.646 9.004 7.1
{cz arg 374}P 14.205 7.812 6.672
{nh2 arg 374}13.641 7.696 5.47
{ca arg 375}P 20.076 3.879 4.981
{cb arg 375}20.741 2.555 4.644
{cg arg 375}20.702 1.481 5.765
{cd arg 375}19.421 0.652 5.657
{ne arg 375}19.538 -0.738 5.977
{cz arg 375}18.516 -1.595 6.021
{nh1 arg 375}17.233 -1.279 5.783
{cz arg 375}P 18.516 -1.595 6.021
{nh2 arg 375}18.825 -2.832 6.342
{ca ala 376}P 20.61 6.471 2.353
{cb ala 376}21.674 7.53 2.522
{ca sep 377}P 20.274 5.488 -1.274
{cb sep 377}19.011 5.558 -2.082
{og sep 377}18.519 6.884 -1.946
{pd sep 377}17.204 7.155 -1.089
{oe1 sep 377}16.445 8.242 -1.734
{pd sep 377}P 17.204 7.155 -1.089
{oe2 sep 377}16.284 5.986 -1.197
{pd sep 377}P 17.204 7.155 -1.089
{oe3 sep 377}17.618 7.347 0.329
{ca ile 378}P 23.378 5.764 -3.504
{cb ile 378}24.411 4.639 -3.585
{cg2 ile 378}24.754 4.262 -2.16
{cb ile 378}P 24.411 4.639 -3.585
{cg1 ile 378}23.82 3.396 -4.247
{cd1 ile 378}24.804 2.611 -5.095
{ca his 379}P 23.711 7.307 -7.015
{cb his 379}22.799 8.517 -7.216
{cg his 379}22.949 9.506 -6.11
{cd2 his 379}24.074 10.058 -5.572
{ne2 his 379}23.651 10.882 -4.545
{ce1 his 379}22.301 10.818 -4.504
{cg his 379}P 22.949 9.506 -6.11
{nd1 his 379}21.836 9.986 -5.437
{ce1 his 379}22.301 10.818 -4.504
{ne2 his 379}23.651 10.882 -4.545
{ne2 his 379}P 23.651 10.882 -4.545
{ce1 his 379}22.301 10.818 -4.504
{ca asp 380}P 26.734 7.346 -9.248
{cb asp 380}26.869 8.582 -10.195
{cg asp 380}27.666 9.79 -9.695
{od1 asp 380}28.535 10.364 -10.362
{cg asp 380}P 27.666 9.79 -9.695
{od2 asp 380}27.307 10.195 -8.49
@subgroup {Lobes} dominant
@labellist {lobes} color=white
{ SMALL LOBE}-5.281 30.378 -0.433
{ LARGE LOBE}27.655 -19.508 0.396
@subgroup {PO3} nobutton  
@vectorlist {phosphate} nobutton color=yellow master= {Active Site} off
{pd sep 377}P 17.204 7.155 -1.089
{oe1 sep 377}16.445 8.242 -1.734
{pd sep 377}P 17.204 7.155 -1.089
{oe2 sep 377}16.284 5.986 -1.197
{pd sep 377}P 17.204 7.155 -1.089
{oe3 sep 377}17.618 7.347 0.329
@subgroup {Hbnd/SaltBr} nobutton
@vectorlist {Hbnd/SaltBr} nobutton color=brown master= {Hbnd/SaltBr} off
{nz lys 72}P U 11.393 10.784 -3.553
{od2 asp 184}U 11.896 8.702 -3.427
{nd2 asn 171}P U 12.924 2.868 -1.119
{o asp 166}U 13.362 1.612 -1.784
{nz lys 168}P U 17.227 3.567 0.687
{og1 thr 201}U 18.336 2.507 -0.237
{oe2 sep 377}P U 15.988 5.618 -1.567
{od2 asp 166}U 15.377 4.859 -2.332
{n sep 377}P U 19.582 6.394 0.07
{oe3 sep 377}U 18.154 7.087 0.258
@subgroup {Labels} nobutton  
@labellist {labels} nobutton color=white master= {Labels} off
{ K72}8.12 17.442 -2.421
{ D166}15.732 1.184 -5.59
{ K168}12.252 -2.827 2.787
{ N171}8.014 0.209 1.865
{ D184}13.294 7.01 -2.099
{ F187}17.218 9.693 -5.84
{ T201}21.354 -1.104 -1.227
{ R375}20.616 0.128 5.728
{ A376}22.437 4.757 1.18
{ S377}18.557 7.659 -1.251
{ I378}22.855 7.165 -4.787
@kinemage 3  
@caption  
Overlay of the Calpha atoms in the small lobes of the ternary (greentint) and binary (bluetint) complexes.  The Gly-rich loops are in green and blue, respectively.  Each glycine location can be designated by a 'G'.  View2 gives a different perspective.
@onewidth
@zoom 1.00  
@zslab 190  
@center 6.753 8.570 -5.915  
@matrix  
0.993956 -0.000798 -0.109774 0.000799 1.000000 -0.000032 0.109774 -0.000056 0.993957   
@2zoom 1.00  
@2zslab 190  
@2center 6.753 8.570 -5.915  
@2matrix  
0.873444 0.165831 0.457815 -0.033636 0.958522 -0.283028 -0.485760 0.231810 0.842794  
@group {Ternary} dominant
@vectorlist {Res.15-127} color=greentint
{ca val 15}P -4.632 -12.079 -13.406
{ca ala 16}-3.546 -11.752 -17.069
{ca ala 17}-6.825 -10.009 -17.896
{ca phe 18}-6.668 -7.657 -14.863
{ca leu 19}-3.115 -6.892 -15.714
{ca ala 20}-4.001 -6.151 -19.358
{ca ala 21}-6.703 -3.79 -18.363
{ca ala 22}-4.281 -2.139 -15.883
{ca lys 23}-1.709 -1.586 -18.631
{ca ala 24}-4.377 0.172 -20.612
{ca asp 25}-5.003 2.783 -17.826
{ca phe 26}-1.397 3.448 -17.046
{ca leu 27}-0.502 4.126 -20.733
{ca ala 28}-3.326 6.645 -20.895
{ca lys 29}-1.726 8.547 -18.006
{ca trp 30}1.874 7.766 -19.022
{ca ala 31}1.275 9.494 -22.313
{ca thr 32}-0.753 12.502 -20.918
{ca pro 33}0.603 13.462 -17.473
{ca ser 34}-0.923 15.8 -14.981
{ca gln 35}0.773 19.04 -14.213
{ca asn 36}0.258 22.009 -11.849
{ca thr 37}-2.692 20.591 -9.925
{ca ala 38}-2.22 23.015 -6.896
{ca gln 39}-0.107 25.698 -5.247
{ca leu 40}1.994 25.946 -2.091
{ca asp 41}-0.281 28.378 -0.433
{ca gln 42}-3.127 25.994 -0.434
{ca phe 43}-1.501 24.071 2.313
{ca asp 44}-0.405 24.608 5.866
{ca ala 45}2.996 23.104 6.488
{ca ile 46}3.027 21.154 9.768
{ca lys 47}5.95 18.779 10.403
{ca thr 48}8.834 17.03 8.578
{ca leu 49}7.924 13.186 8.435
{ca gly 50}11.274 12.127 7.202
{ca thr 51}14.049 12.885 4.845
{ca gly 52}15.659 11.137 1.968
{ca ala 53}18.113 11.604 -0.889
{ca phe 54}17.893 15.44 -1.703
{ca gly 55}14.413 16.029 -0.555
{ca arg 56}12.264 16.154 2.433
{ca val 57}8.803 15.017 3.177
{ca met 58}6.338 16.981 5.308
{ca leu 59}2.895 16.587 6.843
{ca val 60}0.813 19.208 5.354
{ca lys 61}-2.711 20.311 5.593
{ca his 62}-4.999 21.191 2.704
{ca lys 63}-6.613 24.437 3.642
{ca ala 64}-9.634 24.025 1.36
{ca ser 65}-10.783 20.484 2.207
{ca gly 66}-9.329 19.945 5.625
{ca asn 67}-7.3 16.923 4.494
{ca his 68}-3.77 16.11 5.587
{ca tyr 69}-1.205 14.881 3.061
{ca ala 70}2.507 14.224 2.826
{ca met 71}4.272 16.58 0.592
{ca lys 72}7.641 15.691 -0.854
{ca ile 73}9.936 18.645 -1.582
{ca leu 74}12.878 18.757 -4.063
{ca asp 75}15.245 21.593 -4.504
{ca lys 76}15.61 22.072 -8.231
{ca gln 77}19.157 23.25 -7.966
{ca lys 78}20.126 20.331 -5.826
{ca val 79}18.603 17.844 -8.237
{ca val 80}20.579 19.485 -10.967
{ca lys 81}23.968 19.424 -9.13
{ca leu 82}23.329 15.796 -8.186
{ca ala 83}22.458 14.844 -11.779
{ca gln 84}19.046 13.559 -10.894
{ca ile 85}16.888 15.318 -13.361
{ca glu 86}15.806 12.333 -15.309
{ca his 87}15.13 10.357 -12.153
{ca thr 88}12.96 13.204 -10.844
{ca leu 89}11.005 13.518 -14.077
{ca asn 90}10.645 9.698 -14.091
{ca glu 91}9.473 9.672 -10.447
{ca lys 92}6.664 12.064 -11.038
{ca arg 93}5.563 10.717 -14.389
{ca ile 94}5.419 7.13 -13.124
{ca leu 95}3.828 8.038 -9.773
{ca gln 96}1.009 9.872 -11.507
{ca ala 97}0.162 7.046 -13.861
{ca val 98}0.188 4.061 -11.487
{ca asn 99}-2.72 2.582 -9.557
{ca phe 100}-2.544 -0.337 -7.205
{ca pro 101}-3.585 -1.021 -3.659
{ca phe 102}-0.162 -1.143 -2.173
{ca leu 103}1.281 2.013 -3.858
{ca val 104}1.054 5.506 -2.341
{ca lys 105}-1.503 7.676 -4.21
{ca leu 106}-0.208 10.934 -5.634
{ca glu 107}-2.79 13.699 -5.178
{ca phe 108}-1.201 16.763 -6.71
{ca ser 109}2.09 17.837 -8.112
{ca phe 110}3.256 21.395 -8.791
{ca lys 111}6.329 23.544 -8.958
{ca asp 112}7.609 26.956 -8.188
{ca asn 113}10.76 29.04 -8.576
{ca ser 114}12.913 26.824 -6.491
{ca asn 115}11.184 23.555 -5.94
{ca leu 116}9.267 20.586 -7.139
{ca tyr 117}6.338 19.359 -5.074
{ca met 118}4.542 16.074 -4.906
{ca val 119}1.422 15.73 -2.765
{ca met 120}0.53 12.253 -1.699
{ca glu 121}-1.792 10.691 0.722
{ca tyr 122}-0.52 10.616 4.311
{ca val 123}0.286 7.037 5.553
{ca ala 124}0.202 7.461 9.342
{ca gly 125}1.411 4.105 10.645
{ca gly 126}5.099 4.962 10.138
{ca glu 127}7.898 3.237 8.308
@vectorlist {loop} color=green master= {Gly loop}
{ca gly 50}P 11.274 12.127 7.202
{ca thr 51}14.049 12.885 4.845
{ca gly 52}15.659 11.137 1.968
{ca ala 53}18.113 11.604 -0.889
{ca phe 54}17.893 15.44 -1.703
{ca gly 55}14.413 16.029 -0.555
@group {Binary} dominant
@vectorlist {Res.15-127} color= cyan
{ca val 15}P -4.906 -11.688 -13.312
{ca ala 16}-3.734 -11.472 -16.903
{ca ala 17}-6.946 -9.704 -17.792
{ca phe 18}-6.614 -7.426 -14.857
{ca leu 19}-3.179 -6.425 -15.755
{ca ala 20}-4.349 -5.736 -19.329
{ca ala 21}-6.902 -3.134 -18.382
{ca ala 22}-4.493 -1.726 -15.86
{ca lys 23}-1.796 -1.235 -18.505
{ca ala 24}-4.284 0.679 -20.589
{ca ala 25}-5.1 3.044 -17.8
{ca phe 26}-1.433 3.632 -17.041
{ca leu 27}-0.623 4.306 -20.647
{ca ala 28}-3.273 6.976 -20.992
{ca lys 29}-1.644 8.828 -18.096
{ca trp 30}1.939 7.927 -19.125
{ca ala 31}1.492 9.569 -22.475
{ca thr 32}-0.411 12.594 -21.163
{ca pro 33}0.674 13.752 -17.631
{ca ser 34}-0.655 16.126 -15.061
{ca gln 35}1.018 19.479 -14.405
{ca asn 36}0.7 22.242 -11.745
{ca thr 37}-2.39 21.168 -9.823
{ca ala 38}-1.776 23.054 -6.643
{ca gln 39}0.135 25.871 -4.993
{ca leu 40}2.275 26.104 -2.026
{ca asp 41}-0.103 28.435 -0.247
{ca gln 42}-3.027 26.12 -0.505
{ca phe 43}-1.348 24.196 2.359
{ca asp 44}0.082 24.578 5.875
{ca ala 45}3.387 23.111 6.878
{ca ile 46}2.807 20.982 9.895
{ca lys 47}5.966 18.909 10.549
{ca thr 48}8.923 17.407 8.685
{ca leu 49}8.512 13.544 8.419
{ca gly 50}11.729 12.591 6.842
{ca thr 51}14.794 13.949 5.196
{ca gly 52}16.352 12.944 2.04
{ca ala 53}19.257 13.503 -0.199
{ca phe 54}17.874 16.265 -2.318
{ca gly 55}14.752 17.114 -0.327
{ca arg 56}12.538 16.509 2.63
{ca val 57}9.07 15.202 3.404
{ca met 58}6.592 17.214 5.305
{ca leu 59}3.164 16.736 6.814
{ca val 60}1.108 19.346 5.243
{ca lys 61}-2.473 20.53 5.549
{ca his 62}-4.7 21.523 2.688
{ca lys 63}-6.601 24.612 3.523
{ca ala 64}-9.536 24.086 1.26
{ca ser 65}-10.268 20.678 2.458
{ca gly 66}-8.568 20.355 5.842
{ca asn 67}-7.003 17.097 4.68
{ca his 68}-3.48 16.087 5.526
{ca tyr 69}-0.908 15. 3.009
{ca ala 70}2.764 14.279 2.797
{ca met 71}4.446 16.717 0.642
{ca lys 72}7.696 15.858 -1.001
{ca ile 73}9.942 18.874 -1.629
{ca leu 74}12.982 18.658 -4.033
{ca asp 75}15.557 21.417 -4.403
{ca lys 76}15.979 22.196 -8.066
{ca gln 77}19.5 23.026 -7.547
{ca lys 78}20.537 20.019 -5.575
{ca val 79}18.696 17.697 -7.975
{ca val 80}20.786 19.36 -10.576
{ca lys 81}24.288 19.194 -8.987
{ca leu 82}23.482 15.519 -8.053
{ca ala 83}22.6 14.849 -11.722
{ca gln 84}19.225 13.392 -10.71
{ca ile 85}17.269 15.254 -13.292
{ca ala 86}16.02 12.29 -15.255
{ca his 87}15.305 10.355 -12.15
{ca thr 88}13.088 13.231 -10.814
{ca leu 89}11.162 13.442 -14.031
{ca asn 90}10.656 9.625 -14.001
{ca glu 91}9.463 9.527 -10.438
{ca lys 92}6.786 12.143 -11.057
{ca arg 93}5.767 10.927 -14.503
{ca ile 94}5.392 7.316 -13.174
{ca leu 95}3.747 8.184 -9.878
{ca gln 96}1.004 10.216 -11.509
{ca ala 97}0.237 7.266 -13.78
{ca val 98}0.119 4.214 -11.549
{ca asn 99}-2.715 2.931 -9.36
{ca phe 100}-2.353 0.005 -7.093
{ca pro 101}-3.657 -0.655 -3.642
{ca phe 102}-0.239 -0.851 -2.188
{ca leu 103}1.16 2.206 -3.847
{ca val 104}1.193 5.641 -2.25
{ca lys 105}-1.235 7.856 -4.143
{ca leu 106}0.068 11.109 -5.696
{ca glu 107}-2.564 13.83 -5.334
{ca phe 108}-0.904 16.998 -6.393
{ca ser 109}2.172 18.196 -8.138
{ca phe 110}3.695 21.618 -8.766
{ca lys 111}6.882 23.663 -8.689
{ca asp 112}8.129 27.105 -8.122
{ca asn 113}11.191 29.219 -8.448
{ca ser 114}13.392 26.93 -6.445
{ca asn 115}11.534 23.687 -5.764
{ca leu 116}9.6 20.712 -7.121
{ca tyr 117}6.552 19.483 -5.232
{ca met 118}4.829 16.195 -4.983
{ca val 119}1.834 15.973 -2.71
{ca met 120}0.758 12.515 -1.628
{ca glu 121}-1.667 11.169 0.851
{ca tyr 122}-0.496 10.882 4.413
{ca val 123}0.211 7.313 5.782
{ca ala 124}0.371 7.775 9.466
{ca gly 125}1.519 4.348 10.561
{ca gly 126}5.133 5.405 9.845
{ca glu 127}7.824 3.319 8.16
@vectorlist {loop} color=blue master= {Gly loop}
{ca gly 50}P 11.729 12.591 6.842
{ca thr 51}14.794 13.949 5.196
{ca gly 52}16.352 12.944 2.04
{ca ala 53}19.257 13.503 -0.199
{ca phe 54}17.874 16.265 -2.318
{ca gly 55}14.752 17.114 -0.327
@group {Glycines} nobutton
@labellist {Gly} nobutton color=hotpink master= {Glycines} off
{ G}P 11.729 12.591 6.842
{ G}15.052 11.444 2.04
{ G}14.752 17.114 -0.327
@group {Labels} dominant
@labellist {labels} color=white
{ Val15}P -3.906 -11.688 -13.312
{ Glu127}7.824 3.319 8.16
.