#0, chain A: PPT #0, chain B: STI 1avx opened Split 1avx (#0) into 2 models#0.2, chain B: STI #0.1, chain A: PPT C:\Program Files\Chimera 2019-07-16\bin\mscalc.exe 1.400000 2.000000 1 MSMSLIB 1.3 started on Local PC Copyright M.F. Sanner (March 2000) Compilation flags Surface 1avx A, category main, probe radius 1.4, vertex density 2 13 connected surface components Total solvent excluded surface area = 8999.43 component areas = 8108.46, 191.705, 109.642, 91.7798, 82.9376, 77.5909, 68.2281, 61.937, 55.4858, 45.9686, 45.5388, 35.0326, 25.1203 Total solvent accessible surface area = 9332.34 component areas = 9196.23, 56.4753, 20.3728, 14.9576, 11.9199, 10.4101, 6.69515, 6.0788, 4.48781, 2.26307, 2.01498, 0.434782, 0.00137065 No SEQRES records for combination (#-2147483648.-2147483648) chain A; guessing terminii instead Chain-initial residues that are actual N terminii: #-2147483648.-2147483648 ILE 16.A Chain-initial residues that are not actual N terminii: Chain-final residues that are actual C terminii: #-2147483648.-2147483648 ASN 245.A Chain-final residues that are not actual C terminii: 159 hydrogen bonds Hydrogens added Charge model: AMBER ff14SB -10.455 44.609 100.72 8.3008 -10.31 45.219 100.53 8.3008 -10.128 45.302 99.913 8.3008 -8.97 45.289 103.34 6.9741 -9.1942 44.675 103.36 6.9741 -7.8564 45.286 104.19 6.9741 -7.24 44.319 103.97 7.0125 -8.5338 43.639 103.12 7.0125 -6.6135 43.28 103.76 7.0125 -6.1602 42.752 101.93 8.1995 -8.1071 43.143 101.4 8.1995 -5.8155 42.697 100.93 8.1995 -5.8646 42.976 100.42 8.0248 -8.1562 43.422 100.89 8.0248 -7.6854 44.041 100.1 8.0248 -5.8153 43.001 100.23 6.6492 -7.6329 44.067 99.894 6.6492 -6.0437 42.545 98.908 6.6492 -6.3089 42.648 98.289 4.8875 -7.9348 44.184 99.19 4.8875 -7.219 43.945 97.633 4.8875 -8.2188 46.187 96.828 3.4805 -8.9346 46.426 98.385 3.4805 -8.6149 46.985 98.305 3.4805 -9.3364 47.671 100.22 5.2716 -9.6561 47.112 100.29 5.2716 -9.838 47.029 100.91 5.2716 -8.1466 48.035 101.4 5.0174 -8.6481 47.393 102.1 5.0174 -7.5972 48.076 101.78 5.0174 -7.2871 47.809 102.22 4.8983 -8.3379 47.126 102.54 4.8983 -6.7792 48.84 103.1 4.8983 -6.7336 48.776 103.17 4.8853 -8.2894 47.058 102.62 4.8853 -6.753 47.93 104.15 4.8853 -6.8781 47.766 104.37 4.7591 -8.4224 46.884 102.85 4.7591 -7.3753 46.687 103.76 4.7591 -6.9747 47.598 104.73 4.2503 -7.4654 46.53 104.1 4.2503 -7.4587 46.933 105.44 4.2503 -7.0944 44.655 105.87 5.6749 -7.1453 44.529 104.49 5.6749 -6.7106 44.407 104.86 5.6749 -6.6139 44.239 104.69 5.9178 -7.0543 44.371 104.32 5.9178 -6.4021 43.339 104.17 5.9178 -6.3385 44.143 104.98 5.5994 -6.107 43.236 104.48 5.5994 -5.9437 43.682 104.9 5.5994 -3.0687 44.181 103.94 0.74146 -3.0525 43.765 103.47 0.74146 -2.6088 44.524 102.84 0.74146 -2.5715 44.392 102.7 1.082 -3.0101 43.616 103.31 1.082 -2.7987 43.847 102.73 1.082 -2.9178 43.074 102.33 2.3361 -3.1378 42.788 102.88 2.3361 -2.1247 41.936 101.4 2.3361 -3.3204 41.023 101.01 2.13 -4.4803 41.762 102.44 2.13 -4.2344 41.765 101.41 2.13 -3.7411 40.981 100.05 -0.29048 -4.679 41.72 100.4 -0.29048 -4.9831 41.35 99.067 -0.29048 -2.7545 40.91 98.767 -1.21 -4.0099 41.281 97.798 -1.21 -2.748 41.372 98.353 -1.21 -2.5632 42.111 97.7 0.93315 -3.8476 41.93 97.225 0.93315 -1.7477 42.318 95.843 0.93315 -3.3965 42.653 97.01 0.48657 -2.3426 42.881 96.32 0.48657 -2.0086 42.518 95.51 0.48657 -4.0834 42.111 96.924 0.48657 -3.5001 43.103 95.158 0.48657 -3.8356 42.982 94.983 -0.12409 -4.3966 41.999 96.761 -0.12409 -4.4729 42.895 95.839 -0.12409 -6.5457 43.128 96.558 0.64509 -6.2176 42.204 97.392 0.64509 -7.1151 43.439 96.611 0.64509 -6.5044 43.415 95.333 0.41774 -7.0738 43.726 95.387 0.41774 -7.3339 43.969 94.884 0.41774 -7.8657 46.694 95.486 0.74455 -7.6708 46.787 96.063 0.74455 -7.0482 48.118 95.737 0.74455 -7.0067 48.177 96.041 1.6618 -7.6242 46.853 96.404 1.6618 -7.144 48.743 96.269 1.6618 -7.1054 48.749 96.499 2.3308 -7.5856 46.86 96.634 2.3308 -7.9817 47.658 98.111 2.3308 -7.1341 49.586 97.049 1.5516 -8.0104 48.495 98.662 1.5516 -7.172 50.076 98.311 1.5516 -7.1975 50.451 99.59 0.77823 -8.0394 48.922 100.12 0.77823 -7.1921 49.548 100.45 0.77823 -7.1943 48.967 101.55 4.107 -8.0415 48.341 101.21 4.107 -7.4922 48.382 101.59 4.107 -7.1426 48.947 101.64 4.1663 -7.4405 48.362 101.68 4.1663 -6.9237 49.36 102.6 4.1663 -6.6655 50.057 101.11 0.11101 -6.4746 50.404 102.1 0.11101 -6.4606 52.092 101.2 0.11101 -6.4858 52.169 101.34 0.0021526 -6.4983 50.477 102.23 0.0021523 -6.9907 51.381 103 0.0021526 -7.3621 50.399 104 3.2428 -6.8909 49.438 103.29 3.2428 -7.0911 49.898 104.25 3.2428 -6.9691 49.55 104.44 4.1636 -6.776 49.11 103.46 4.1636 -6.7954 48.264 104.44 4.1636 -7.0194 49.517 105.45 3.5852 -6.8428 48.233 105.39 3.5852 -7.3186 47.609 106.13 3.5852 -6.7403 49.744 106.22 2.3376 -7.0395 47.836 106.89 2.3376 -6.7815 48.031 107.42 2.3376 -4.5974 46.283 107.94 1.1662 -4.5873 45.874 107.47 1.1662 -4.1592 45.961 106.99 1.1662 -4.597 44.83 106.4 3.4009 -5.0251 44.743 106.89 3.4009 -4.3713 44.032 105.73 3.4009 -5.9008 43.704 104.99 5.5779 -6.6501 44.395 106.09 5.5779 -6.296 44.164 105.07 5.5779 -3.434 45.868 105.4 -0.78281 -3.2767 45.009 104.79 -0.78281 -2.6028 46.797 105.15 -0.78281 -2.5182 46.891 104.55 -2.5917 -3.186 45.11 104.15 -2.5917 -2.7182 45.391 103.04 -2.5917 -2.3466 47.436 103.99 -5.1412 -2.5467 45.935 102.48 -5.1412 -2.5615 47.608 102.48 -5.1412 -2.5269 47.609 102.42 -4.8907 -2.512 45.936 102.41 -4.8907 -1.554 46.427 101.54 -4.8907 -1.2432 44.94 101.14 1.0326 -2.2219 44.548 102.03 1.0326 -1.5152 43.529 100.98 1.0326 -1.6873 43.251 101.14 1.3235 -2.3731 44.303 102.17 1.3235 -2.5879 43.753 102.17 1.3235 -1.9126 42.678 101.23 2.1994 -2.7981 43.218 102.26 2.1994 -2.0105 42.073 101.33 2.1994 -0.3502 44.973 99.834 3.1179 -0.56639 43.564 99.591 3.1179 1.3619 44.441 98.536 3.1179 1.4867 43.873 98.269 2.2758 -0.42626 42.927 99.291 2.2758 0.73506 43.179 97.843 2.2758 -0.46851 42.019 96.633 0.79861 -1.6649 41.733 98.045 0.79861 -0.87478 41.95 96.177 0.79861 1.4581 43.472 94.693 -0.61281 1.0519 43.402 94.238 -0.61281 1.2517 44.39 93.909 -0.61281 1.0224 44.329 93.587 -1.1456 0.8226 43.342 93.916 -1.1456 0.65523 43.817 93.549 -1.1456 0.25963 43.468 93.257 -1.3747 0.41067 42.978 93.612 -1.3747 -0.10896 43.341 92.726 -1.3747 -2.5187 42.669 93.989 0.043423 -1.9309 42.326 94.839 0.043423 -3.4248 42.916 94.508 0.043423 -3.1545 42.928 92.857 -2.7832 -4.0233 43.159 93.443 -2.7832 -4.1518 43.238 91.98 -2.7832 -5.2605 44.212 92.076 -2.0234 -5.2111 44.202 93.547 -2.0234 -6.8262 44.66 93.975 -2.0234 -6.8478 44.297 94.297 -0.62 -5.2339 43.819 93.886 -0.62 -5.9586 43.784 94.674 -0.62 -6.0358 45.042 93.643 -2.044 -5.3163 44.833 92.766 -2.044 -5.3828 44.778 91.841 -2.044 -6.9502 45.234 93.736 -2.044 -5.2585 45.216 92.211 -2.044 -5.2563 45.569 92.212 -1.4975 -6.9481 45.571 93.737 -1.4975 -5.6768 46.319 91.548 -1.4975 -6.419 45.908 93.753 -1.5328 -5.4641 46.472 92.19 -1.5328 -5.5491 47.1 91.909 -1.5328 -6.8344 46.266 94.057 -1.5328 -5.1769 46.897 92.384 -1.5328 -5.1319 46.952 92.449 -1.65 -6.7918 46.318 94.119 -1.65 -5.9743 47.742 94.37 -1.65 -5.1309 47.044 92.412 -1.5338 -5.9733 47.829 94.335 -1.5338 -5.5002 47.256 91.938 -1.5338 -5.1237 47.836 93.598 -1.508 -4.9707 47.685 92.939 -1.508 -5.5061 47.28 91.931 -1.508 -5.9786 47.851 94.328 -1.508 -5.5394 47.921 92.021 -1.508 -5.7482 48.452 92.005 -0.82136 -6.1645 48.323 94.314 -0.82136 -6.0623 49.287 93.825 -0.82136 -6.6736 49.558 94.306 -0.21896 -6.7089 48.565 94.743 -0.21896 -6.8097 49.178 94.812 -0.21896 -6.1121 51.715 96.078 -0.037969 -6.2483 51.335 96.584 -0.037969 -6.4846 53.763 97.623 -0.037969 -5.7391 51.648 96.923 -0.059193 -5.9346 53.417 97.671 -0.059193 -6.4873 53.76 97.631 -0.059193 -6.2511 51.332 96.592 -0.059193 -6.3963 51.61 97.909 -0.059193 -7.0497 53.861 98.804 -0.91424 -6.9213 51.705 99.004 -0.91424 -6.6729 53.01 99.875 -0.91424 -6.5022 52.104 101.03 -0.33423 -6.7714 50.908 100.02 -0.33423 -6.7071 50.068 100.94 -0.33423 -7.2763 54.366 99.269 0.31871 -6.9136 53.546 100.37 0.31871 -7.7173 54.809 99.359 0.31871 -7.5339 55.53 100.11 -0.95078 -6.7302 54.268 101.12 -0.95078 -6.8595 55.754 101.71 -0.95078 -6.1501 55.446 102.88 -2.2218 -5.9228 53.918 102.46 -2.2218 -5.2032 54.728 103.87 -2.2218 -5.1928 54.683 103.89 -2.1793 -5.9124 53.873 102.48 -2.1793 -6.48 52.899 104.01 -2.1793 -4.7701 54.404 105.18 -2.4378 -6.1035 52.651 105.15 -2.4378 -5.6779 52.427 105.55 -2.4378 -4.6853 54.382 105.26 -2.6939 -5.5932 52.405 105.64 -2.6939 -4.7509 54.741 106.5 -2.6939 -4.9101 52.571 105.77 -4.1451 -4.3599 54.249 106.38 -4.1451 -4.369 54.436 106.99 -4.1451 -5.1585 52.058 106.2 -4.1451 -4.094 52.774 108.16 -4.1451 -3.1047 51.631 108.12 -1.2155 -4.0324 50.757 106.15 -1.2155 -2.5298 51.868 106.08 -1.2155 -2.4237 51.718 105.92 -1.5747 -3.9116 50.585 105.97 -1.5747 -3.5155 50.248 105.57 -1.5747 -3.5917 50.043 105.67 -0.93766 -3.9878 50.381 106.07 -0.93766 -2.9761 49.161 105.91 -0.93766 -3.1928 48.946 106.11 0.28648 -4.2344 50.136 106.31 0.28648 -3.7381 49.164 106.08 0.28648 -4.2223 48.85 106.3 0.76254 -4.7532 49.8 106.54 0.76254 -5.0117 48.08 107.72 0.76254 -3.9597 48.593 106.31 0.1454 -4.7611 47.835 107.73 0.1454 -3.4014 48.408 106.33 0.1454 -3.1105 47.779 106.35 -0.57811 -4.4662 47.196 107.75 -0.57811 -4.0118 46.986 106.77 -0.57811 -3.3418 50.15 105.45 -1.7477 -2.7566 49.254 105.71 -1.7477 -2.2711 51.632 105.81 -1.7477 -2.0508 51.59 105.73 -2.0366 -2.5364 49.213 105.63 -2.0366 -0.79144 51.037 105.99 -2.0366 -1.8536 49.411 105.21 -2.1894 -0.87677 50.412 105.39 -2.1894 -0.022022 50.425 105.21 -2.1894 -1.8182 48.642 104.9 -2.1894 -0.31875 50.387 104.17 -2.1894 -0.39861 50.198 103.59 -3.4649 -1.8883 48.476 104.39 -3.4649 -0.10145 49.359 102.65 -3.4649 -2.0503 48.654 103.87 -4.6865 -0.71375 49.336 102.51 -4.6865 -0.30006 48.946 102.25 -4.6865 -2.0675 48.103 104.03 -4.6865 -2.2824 48.275 102.52 -4.6865 -0.25413 48.651 101.9 -3.5761 -2.241 48.009 102.21 -3.5761 -1.2477 46.857 101.31 -3.5761 -0.23306 48.639 101.9 -3.3651 -1.2274 46.845 101.32 -3.3651 0.43697 47.52 102.06 -3.3651 1.5702 46.082 100.84 3.0471 -0.094135 45.407 100.09 3.0471 2.294 45.684 99.848 3.0471 2.2867 45.651 99.742 2.96 -0.10097 45.376 99.993 2.96 1.5978 44.822 98.686 2.96 4.3569 45.839 97.83 1.0815 3.4415 44.99 96.984 1.0815 4.8778 46.555 96.626 1.0815 4.8356 46.558 96.473 0.88529 3.4016 44.993 96.838 0.88529 4.7794 46.45 95.854 0.88529 4.358 46.365 95.174 0.29471 3.0263 44.917 96.233 0.29471 2.6208 45.315 95.294 0.29471 2.5813 45.176 95.253 0.2152 2.9901 44.789 96.195 0.2152 2.6181 44.71 95.668 0.2152 2.4144 43.717 96.008 0.29144 2.7957 43.841 96.52 0.29144 2.1632 43.144 95.935 0.29144 2.0047 44.062 95.053 -0.32466 1.7366 43.503 94.941 -0.32466 1.9426 44.501 94.613 -0.32466 1.6741 44.477 94.373 -0.60278 1.4681 43.48 94.701 -0.60278 1.2616 44.398 93.917 -0.60278 1.9227 45.584 93.958 -2.0652 1.5102 45.505 93.501 -2.0652 3.5229 46.147 91.862 -2.0652 1.4623 45.988 93.145 -3.8416 3.0267 46.487 91.872 -3.8416 3.0517 46.245 91.322 -3.8416 1.039 45.603 92.96 -3.8416 1.2361 46.912 91.92 -3.8416 0.59798 46.795 91.626 -5.156 0.33316 45.474 92.636 -5.156 -0.39435 44.893 92.059 -5.156 0.013191 43.954 92.522 -1.9625 0.72917 44.562 93.085 -1.9625 0.37362 44.04 93.067 -1.9625 0.14242 46.98 91.344 -7.213 -0.9129 45.104 91.738 -7.213 -1.3842 46.125 89.897 -7.213 -2.1292 45.132 89.472 -8.3307 -1.7609 43.973 91.254 -8.3307 -2.9275 44.156 90.572 -8.3307 -2.9469 45.115 88.863 -11.225 -3.7452 44.139 89.963 -11.225 -3.5306 45.179 88.866 -11.225 -3.8985 45.194 88.811 -9.8144 -4.0915 44.153 89.911 -9.8144 -4.2604 45.197 88.311 -9.8144 -5.3451 45.584 88.709 -4.1515 -5.1041 44.513 90.282 -4.1515 -5.3619 45.64 89.774 -4.1515 -5.7011 46.118 91.341 -2.0233 -5.4021 44.933 91.659 -2.0233 -5.279 45.382 92.018 -2.0233 -5.9232 47.418 88.494 0.18989 -5.976 47.588 89.546 0.18989 -6.0093 48.229 89.635 0.18989 -5.7119 47.867 88.181 0.21758 -5.7848 48.706 89.303 0.21758 -5.6921 48.821 87.412 0.21758 -5.679 48.989 87.422 0.15188 -5.7709 48.884 89.314 0.15188 -6.2647 49.873 87.271 0.15188 -6.2801 50.421 87.54 -0.075514 -5.7862 49.431 89.583 -0.075514 -6.3032 51.197 89.437 -0.075514 -6.3318 51.388 91.196 0.85184 -5.8167 49.634 91.451 0.85184 -6.1308 50.469 93.27 0.85184 -6.5619 51.753 91.377 0.44063 -6.3753 50.857 93.462 0.44063 -6.3839 52.052 91.884 0.44063 -6.5005 52.302 92.071 -0.23008 -6.5002 51.125 93.663 -0.23008 -6.8121 52.712 92.34 -0.23008 -5.7187 53.866 93.287 -0.44849 -5.2556 52.437 94.741 -0.44849 -4.7336 53.457 93.395 -0.44849 -4.6761 53.46 93.419 -0.3303 -5.1981 52.44 94.765 -0.3303 -4.2196 53.272 95.494 -0.3303 -4.5342 53.185 96.055 0.54125 -5.5562 52.342 95.404 0.54125 -5.9613 54.353 96.989 0.54125 -5.5691 52.388 96.293 0.54125 -5.8009 53.539 97.172 0.54125 -4.4208 53.384 95.977 0.81909 -5.8399 54.566 96.906 0.81909 -5.7758 55.402 95.979 0.81909 -6.8695 55.623 96.103 0.70829 -6.9335 54.786 97.029 0.70829 -7.3531 55.255 96.979 0.70829 -7.0844 55.803 96.057 0.20355 -7.5815 55.446 96.93 0.20355 -8.0813 56.098 95.24 0.20355 -8.961 56.871 95.732 -2.2066 -8.5829 56.326 97.49 -2.2066 -8.7431 57.263 96.977 -2.2066 -8.259 58.471 98.491 4.3763 -8.0318 57.701 99.214 4.3763 -7.6524 59.464 100.07 4.3763 -7.2638 59.006 100.84 3.4641 -7.6433 57.243 99.989 3.4641 -6.9816 57.769 101.89 3.4641 -7.0396 57.596 101.96 2.6071 -7.7054 57.058 100.06 2.6071 -7.0101 57.096 101.66 2.6071 -7.136 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