EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:28 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.6740 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1291.21790 REMARK 6 GA341 score: 0.99922 REMARK 6 Normalized DOPE score: -0.94183 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 370 6.657 27.346 64.319 1.00 60.89 N ATOM 2 CA GLU 370 5.556 28.332 64.391 1.00 60.89 C ATOM 3 CB GLU 370 5.357 29.057 63.048 1.00 60.89 C ATOM 4 CG GLU 370 6.496 29.988 62.640 1.00 60.89 C ATOM 5 CD GLU 370 6.088 30.640 61.326 1.00 60.89 C ATOM 6 OE1 GLU 370 6.013 29.914 60.298 1.00 60.89 O ATOM 7 OE2 GLU 370 5.833 31.873 61.337 1.00 60.89 O ATOM 8 C GLU 370 4.277 27.634 64.693 1.00 60.89 C ATOM 9 O GLU 370 4.252 26.425 64.921 1.00 60.89 O ATOM 10 N LYS 371 3.177 28.409 64.732 1.00 75.31 N ATOM 11 CA LYS 371 1.889 27.830 64.954 1.00 75.31 C ATOM 12 CB LYS 371 1.264 28.266 66.288 1.00 75.31 C ATOM 13 CG LYS 371 1.989 27.629 67.476 1.00 75.31 C ATOM 14 CD LYS 371 1.734 28.301 68.829 1.00 75.31 C ATOM 15 CE LYS 371 2.912 29.142 69.332 1.00 75.31 C ATOM 16 NZ LYS 371 2.655 29.601 70.719 1.00 75.31 N ATOM 17 C LYS 371 1.019 28.280 63.828 1.00 75.31 C ATOM 18 O LYS 371 0.443 29.368 63.831 1.00 75.31 O ATOM 19 N PRO 372 0.959 27.429 62.848 1.00120.73 N ATOM 20 CA PRO 372 0.203 27.691 61.654 1.00120.73 C ATOM 21 CD PRO 372 2.082 26.541 62.596 1.00120.73 C ATOM 22 CB PRO 372 0.765 26.752 60.582 1.00120.73 C ATOM 23 CG PRO 372 1.658 25.759 61.348 1.00120.73 C ATOM 24 C PRO 372 -1.290 27.641 61.769 1.00120.73 C ATOM 25 O PRO 372 -1.948 28.186 60.886 1.00120.73 O ATOM 26 N PHE 373 -1.872 27.003 62.800 1.00 59.19 N ATOM 27 CA PHE 373 -3.306 26.916 62.781 1.00 59.19 C ATOM 28 CB PHE 373 -3.830 25.509 63.109 1.00 59.19 C ATOM 29 CG PHE 373 -3.346 24.644 61.994 1.00 59.19 C ATOM 30 CD1 PHE 373 -4.064 24.549 60.825 1.00 59.19 C ATOM 31 CD2 PHE 373 -2.170 23.937 62.105 1.00 59.19 C ATOM 32 CE1 PHE 373 -3.625 23.761 59.790 1.00 59.19 C ATOM 33 CE2 PHE 373 -1.724 23.145 61.070 1.00 59.19 C ATOM 34 CZ PHE 373 -2.455 23.052 59.909 1.00 59.19 C ATOM 35 C PHE 373 -3.882 27.891 63.759 1.00 59.19 C ATOM 36 O PHE 373 -3.552 27.875 64.943 1.00 59.19 O ATOM 37 N THR 374 -4.791 28.763 63.273 1.00 97.62 N ATOM 38 CA THR 374 -5.360 29.773 64.118 1.00 97.62 C ATOM 39 CB THR 374 -5.229 31.158 63.557 1.00 97.62 C ATOM 40 OG1 THR 374 -5.674 32.112 64.509 1.00 97.62 O ATOM 41 CG2 THR 374 -6.062 31.264 62.267 1.00 97.62 C ATOM 42 C THR 374 -6.820 29.504 64.282 1.00 97.62 C ATOM 43 O THR 374 -7.499 29.090 63.345 1.00 97.62 O ATOM 44 N CYS 375 -7.334 29.709 65.511 1.00 94.18 N ATOM 45 CA CYS 375 -8.732 29.495 65.747 1.00 94.18 C ATOM 46 CB CYS 375 -9.082 29.153 67.207 1.00 94.18 C ATOM 47 SG CYS 375 -8.763 30.528 68.343 1.00 94.18 S ATOM 48 C CYS 375 -9.470 30.733 65.343 1.00 94.18 C ATOM 49 O CYS 375 -9.060 31.857 65.631 1.00 94.18 O ATOM 50 N THR 376 -10.606 30.543 64.652 1.00105.75 N ATOM 51 CA THR 376 -11.359 31.657 64.163 1.00105.75 C ATOM 52 CB THR 376 -12.509 31.241 63.287 1.00105.75 C ATOM 53 OG1 THR 376 -13.162 32.385 62.754 1.00105.75 O ATOM 54 CG2 THR 376 -13.496 30.396 64.108 1.00105.75 C ATOM 55 C THR 376 -11.912 32.459 65.297 1.00105.75 C ATOM 56 O THR 376 -11.900 33.688 65.256 1.00105.75 O ATOM 57 N GLN 377 -12.444 31.783 66.330 1.00105.14 N ATOM 58 CA GLN 377 -13.118 32.505 67.365 1.00105.14 C ATOM 59 CB GLN 377 -13.942 31.545 68.235 1.00105.14 C ATOM 60 CG GLN 377 -14.907 32.228 69.199 1.00105.14 C ATOM 61 CD GLN 377 -14.170 32.437 70.510 1.00105.14 C ATOM 62 OE1 GLN 377 -13.796 33.554 70.862 1.00105.14 O ATOM 63 NE2 GLN 377 -13.953 31.322 71.258 1.00105.14 N ATOM 64 C GLN 377 -12.202 33.315 68.240 1.00105.14 C ATOM 65 O GLN 377 -12.381 34.526 68.367 1.00105.14 O ATOM 66 N CYS 378 -11.213 32.657 68.884 1.00102.53 N ATOM 67 CA CYS 378 -10.285 33.292 69.791 1.00102.53 C ATOM 68 CB CYS 378 -9.619 32.271 70.728 1.00102.53 C ATOM 69 SG CYS 378 -8.345 33.014 71.781 1.00102.53 S ATOM 70 C CYS 378 -9.190 34.048 69.096 1.00102.53 C ATOM 71 O CYS 378 -8.828 35.153 69.498 1.00102.53 O ATOM 72 N GLY 379 -8.623 33.453 68.030 1.00 27.43 N ATOM 73 CA GLY 379 -7.522 34.054 67.334 1.00 27.43 C ATOM 74 C GLY 379 -6.237 33.442 67.814 1.00 27.43 C ATOM 75 O GLY 379 -5.162 33.807 67.341 1.00 27.43 O ATOM 76 N LYS 380 -6.308 32.490 68.766 1.00 79.30 N ATOM 77 CA LYS 380 -5.115 31.864 69.269 1.00 79.30 C ATOM 78 CB LYS 380 -5.338 31.080 70.573 1.00 79.30 C ATOM 79 CG LYS 380 -4.028 30.618 71.212 1.00 79.30 C ATOM 80 CD LYS 380 -4.174 30.142 72.660 1.00 79.30 C ATOM 81 CE LYS 380 -2.859 29.666 73.281 1.00 79.30 C ATOM 82 NZ LYS 380 -1.943 30.811 73.482 1.00 79.30 N ATOM 83 C LYS 380 -4.587 30.907 68.237 1.00 79.30 C ATOM 84 O LYS 380 -5.353 30.305 67.486 1.00 79.30 O ATOM 85 N SER 381 -3.244 30.739 68.185 1.00 53.57 N ATOM 86 CA SER 381 -2.637 29.892 67.189 1.00 53.57 C ATOM 87 CB SER 381 -1.529 30.591 66.381 1.00 53.57 C ATOM 88 OG SER 381 -2.076 31.636 65.589 1.00 53.57 O ATOM 89 C SER 381 -2.011 28.697 67.852 1.00 53.57 C ATOM 90 O SER 381 -1.578 28.764 69.001 1.00 53.57 O ATOM 91 N PHE 382 -1.955 27.560 67.118 1.00145.83 N ATOM 92 CA PHE 382 -1.433 26.326 67.650 1.00145.83 C ATOM 93 CB PHE 382 -2.528 25.279 67.908 1.00145.83 C ATOM 94 CG PHE 382 -3.413 25.795 68.986 1.00145.83 C ATOM 95 CD1 PHE 382 -4.445 26.649 68.674 1.00145.83 C ATOM 96 CD2 PHE 382 -3.209 25.444 70.301 1.00145.83 C ATOM 97 CE1 PHE 382 -5.273 27.138 69.655 1.00145.83 C ATOM 98 CE2 PHE 382 -4.034 25.929 71.288 1.00145.83 C ATOM 99 CZ PHE 382 -5.066 26.778 70.966 1.00145.83 C ATOM 100 C PHE 382 -0.509 25.694 66.652 1.00145.83 C ATOM 101 O PHE 382 -0.640 25.881 65.444 1.00145.83 O ATOM 102 N SER 383 0.484 24.935 67.160 1.00 84.50 N ATOM 103 CA SER 383 1.420 24.228 66.332 1.00 84.50 C ATOM 104 CB SER 383 2.641 23.714 67.110 1.00 84.50 C ATOM 105 OG SER 383 3.395 24.806 67.611 1.00 84.50 O ATOM 106 C SER 383 0.753 23.027 65.742 1.00 84.50 C ATOM 107 O SER 383 1.148 22.556 64.675 1.00 84.50 O ATOM 108 N GLN 384 -0.285 22.504 66.425 1.00 60.55 N ATOM 109 CA GLN 384 -0.868 21.260 66.011 1.00 60.55 C ATOM 110 CB GLN 384 -0.888 20.235 67.151 1.00 60.55 C ATOM 111 CG GLN 384 0.484 19.963 67.766 1.00 60.55 C ATOM 112 CD GLN 384 0.232 19.259 69.090 1.00 60.55 C ATOM 113 OE1 GLN 384 -0.191 18.104 69.123 1.00 60.55 O ATOM 114 NE2 GLN 384 0.478 19.986 70.213 1.00 60.55 N ATOM 115 C GLN 384 -2.309 21.458 65.654 1.00 60.55 C ATOM 116 O GLN 384 -3.037 22.193 66.319 1.00 60.55 O ATOM 117 N SER 385 -2.759 20.771 64.585 1.00 68.21 N ATOM 118 CA SER 385 -4.127 20.848 64.161 1.00 68.21 C ATOM 119 CB SER 385 -4.379 20.107 62.838 1.00 68.21 C ATOM 120 OG SER 385 -4.142 18.719 63.015 1.00 68.21 O ATOM 121 C SER 385 -4.988 20.206 65.207 1.00 68.21 C ATOM 122 O SER 385 -6.077 20.693 65.506 1.00 68.21 O ATOM 123 N SER 386 -4.506 19.095 65.801 1.00 67.14 N ATOM 124 CA SER 386 -5.271 18.360 66.768 1.00 67.14 C ATOM 125 CB SER 386 -4.552 17.088 67.252 1.00 67.14 C ATOM 126 OG SER 386 -4.435 16.163 66.181 1.00 67.14 O ATOM 127 C SER 386 -5.508 19.221 67.963 1.00 67.14 C ATOM 128 O SER 386 -6.593 19.207 68.543 1.00 67.14 O ATOM 129 N SER 387 -4.487 19.996 68.370 1.00 61.62 N ATOM 130 CA SER 387 -4.625 20.837 69.525 1.00 61.62 C ATOM 131 CB SER 387 -3.324 21.573 69.888 1.00 61.62 C ATOM 132 OG SER 387 -3.523 22.394 71.030 1.00 61.62 O ATOM 133 C SER 387 -5.655 21.881 69.238 1.00 61.62 C ATOM 134 O SER 387 -6.451 22.234 70.106 1.00 61.62 O ATOM 135 N LEU 388 -5.670 22.390 67.992 1.00104.82 N ATOM 136 CA LEU 388 -6.587 23.428 67.623 1.00104.82 C ATOM 137 CB LEU 388 -6.392 23.874 66.157 1.00104.82 C ATOM 138 CG LEU 388 -7.171 25.142 65.742 1.00104.82 C ATOM 139 CD1 LEU 388 -8.691 24.939 65.791 1.00104.82 C ATOM 140 CD2 LEU 388 -6.706 26.363 66.549 1.00104.82 C ATOM 141 C LEU 388 -7.973 22.876 67.769 1.00104.82 C ATOM 142 O LEU 388 -8.861 23.539 68.300 1.00104.82 O ATOM 143 N ASN 389 -8.187 21.619 67.335 1.00 46.16 N ATOM 144 CA ASN 389 -9.506 21.052 67.370 1.00 46.16 C ATOM 145 CB ASN 389 -9.562 19.616 66.816 1.00 46.16 C ATOM 146 CG ASN 389 -9.362 19.678 65.309 1.00 46.16 C ATOM 147 OD1 ASN 389 -9.263 18.651 64.640 1.00 46.16 O ATOM 148 ND2 ASN 389 -9.294 20.920 64.758 1.00 46.16 N ATOM 149 C ASN 389 -10.000 21.008 68.782 1.00 46.16 C ATOM 150 O ASN 389 -11.135 21.396 69.059 1.00 46.16 O ATOM 151 N GLN 390 -9.161 20.546 69.724 1.00 98.99 N ATOM 152 CA GLN 390 -9.621 20.455 71.080 1.00 98.99 C ATOM 153 CB GLN 390 -8.618 19.794 72.042 1.00 98.99 C ATOM 154 CG GLN 390 -8.643 18.270 71.967 1.00 98.99 C ATOM 155 CD GLN 390 -9.973 17.827 72.561 1.00 98.99 C ATOM 156 OE1 GLN 390 -10.767 18.653 73.007 1.00 98.99 O ATOM 157 NE2 GLN 390 -10.221 16.491 72.580 1.00 98.99 N ATOM 158 C GLN 390 -9.912 21.825 71.594 1.00 98.99 C ATOM 159 O GLN 390 -10.891 22.036 72.305 1.00 98.99 O ATOM 160 N HIS 391 -9.072 22.808 71.234 1.00 40.75 N ATOM 161 CA HIS 391 -9.276 24.129 71.742 1.00 40.75 C ATOM 162 ND1 HIS 391 -7.922 26.840 73.057 1.00 40.75 N ATOM 163 CG HIS 391 -8.357 26.499 71.798 1.00 40.75 C ATOM 164 CB HIS 391 -8.232 25.124 71.212 1.00 40.75 C ATOM 165 NE2 HIS 391 -8.770 28.685 72.151 1.00 40.75 N ATOM 166 CD2 HIS 391 -8.873 27.634 71.257 1.00 40.75 C ATOM 167 CE1 HIS 391 -8.194 28.159 73.217 1.00 40.75 C ATOM 168 C HIS 391 -10.626 24.596 71.307 1.00 40.75 C ATOM 169 O HIS 391 -11.393 25.128 72.108 1.00 40.75 O ATOM 170 N MET 392 -10.969 24.399 70.021 1.00 49.86 N ATOM 171 CA MET 392 -12.260 24.849 69.595 1.00 49.86 C ATOM 172 CB MET 392 -12.414 24.986 68.070 1.00 49.86 C ATOM 173 CG MET 392 -11.533 26.081 67.463 1.00 49.86 C ATOM 174 SD MET 392 -11.943 26.514 65.743 1.00 49.86 S ATOM 175 CE MET 392 -13.401 27.500 66.196 1.00 49.86 C ATOM 176 C MET 392 -13.300 23.847 70.072 1.00 49.86 C ATOM 177 O MET 392 -14.510 24.107 69.833 1.00 49.86 O ATOM 178 OXT MET 392 -12.904 22.812 70.673 1.00 49.86 O