EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:49 REMARK 6 MODELLER OBJECTIVE FUNCTION: 90.9796 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 40.909 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1356.58313 REMARK 6 GA341 score: 0.87930 REMARK 6 Normalized DOPE score: -0.86564 REMARK 6 TEMPLATE: 1a1iA03 160:A - 181:A MODELS 1: - 22: AT 40.9% ATOM 1 N ASP 381 11.287 14.655 44.021 1.00 26.07 N ATOM 2 CA ASP 381 11.725 15.706 44.965 1.00 26.07 C ATOM 3 CB ASP 381 12.956 15.240 45.761 1.00 26.07 C ATOM 4 CG ASP 381 12.489 14.246 46.821 1.00 26.07 C ATOM 5 OD1 ASP 381 11.353 14.417 47.338 1.00 26.07 O ATOM 6 OD2 ASP 381 13.268 13.303 47.132 1.00 26.07 O ATOM 7 C ASP 381 12.060 16.955 44.226 1.00 26.07 C ATOM 8 O ASP 381 11.172 17.686 43.795 1.00 26.07 O ATOM 9 N LYS 382 13.361 17.242 44.053 1.00122.59 N ATOM 10 CA LYS 382 13.719 18.444 43.356 1.00122.59 C ATOM 11 CB LYS 382 15.022 19.037 43.893 1.00122.59 C ATOM 12 CG LYS 382 14.834 19.665 45.274 1.00122.59 C ATOM 13 CD LYS 382 14.313 18.689 46.335 1.00122.59 C ATOM 14 CE LYS 382 15.371 17.820 47.014 1.00122.59 C ATOM 15 NZ LYS 382 14.730 17.057 48.109 1.00122.59 N ATOM 16 C LYS 382 13.925 18.094 41.917 1.00122.59 C ATOM 17 O LYS 382 15.035 17.791 41.478 1.00122.59 O ATOM 18 N SER 383 12.822 18.164 41.152 1.00 90.32 N ATOM 19 CA SER 383 12.745 17.802 39.768 1.00 90.32 C ATOM 20 CB SER 383 11.295 17.764 39.272 1.00 90.32 C ATOM 21 OG SER 383 10.596 16.735 39.953 1.00 90.32 O ATOM 22 C SER 383 13.468 18.766 38.880 1.00 90.32 C ATOM 23 O SER 383 14.001 18.370 37.845 1.00 90.32 O ATOM 24 N TYR 384 13.519 20.061 39.237 1.00 64.21 N ATOM 25 CA TYR 384 14.067 20.977 38.277 1.00 64.21 C ATOM 26 CB TYR 384 13.117 22.152 37.968 1.00 64.21 C ATOM 27 CG TYR 384 11.972 21.582 37.201 1.00 64.21 C ATOM 28 CD1 TYR 384 12.033 21.521 35.828 1.00 64.21 C ATOM 29 CD2 TYR 384 10.848 21.108 37.838 1.00 64.21 C ATOM 30 CE1 TYR 384 10.998 20.992 35.094 1.00 64.21 C ATOM 31 CE2 TYR 384 9.806 20.580 37.108 1.00 64.21 C ATOM 32 CZ TYR 384 9.878 20.520 35.736 1.00 64.21 C ATOM 33 OH TYR 384 8.808 19.975 34.993 1.00 64.21 O ATOM 34 C TYR 384 15.373 21.509 38.764 1.00 64.21 C ATOM 35 O TYR 384 15.451 22.142 39.816 1.00 64.21 O ATOM 36 N VAL 385 16.441 21.263 37.976 1.00 41.77 N ATOM 37 CA VAL 385 17.773 21.659 38.338 1.00 41.77 C ATOM 38 CB VAL 385 18.738 20.509 38.258 1.00 41.77 C ATOM 39 CG1 VAL 385 20.144 20.990 38.649 1.00 41.77 C ATOM 40 CG2 VAL 385 18.195 19.366 39.132 1.00 41.77 C ATOM 41 C VAL 385 18.227 22.728 37.387 1.00 41.77 C ATOM 42 O VAL 385 17.991 22.672 36.181 1.00 41.77 O ATOM 43 N CYS 386 18.894 23.763 37.935 1.00 47.87 N ATOM 44 CA CYS 386 19.346 24.855 37.126 1.00 47.87 C ATOM 45 CB CYS 386 19.873 26.038 37.953 1.00 47.87 C ATOM 46 SG CYS 386 20.448 27.420 36.923 1.00 47.87 S ATOM 47 C CYS 386 20.457 24.348 36.276 1.00 47.87 C ATOM 48 O CYS 386 21.347 23.639 36.743 1.00 47.87 O ATOM 49 N ASP 387 20.429 24.706 34.984 1.00 47.13 N ATOM 50 CA ASP 387 21.420 24.166 34.113 1.00 47.13 C ATOM 51 CB ASP 387 21.237 24.621 32.657 1.00 47.13 C ATOM 52 CG ASP 387 19.925 24.051 32.125 1.00 47.13 C ATOM 53 OD1 ASP 387 19.342 23.148 32.782 1.00 47.13 O ATOM 54 OD2 ASP 387 19.489 24.528 31.042 1.00 47.13 O ATOM 55 C ASP 387 22.765 24.627 34.563 1.00 47.13 C ATOM 56 O ASP 387 23.669 23.814 34.746 1.00 47.13 O ATOM 57 N GLN 388 22.940 25.952 34.743 1.00108.75 N ATOM 58 CA GLN 388 24.242 26.451 35.082 1.00108.75 C ATOM 59 CB GLN 388 24.333 27.979 34.937 1.00108.75 C ATOM 60 CG GLN 388 24.215 28.454 33.486 1.00108.75 C ATOM 61 CD GLN 388 25.468 28.015 32.748 1.00108.75 C ATOM 62 OE1 GLN 388 26.379 27.442 33.343 1.00108.75 O ATOM 63 NE2 GLN 388 25.515 28.286 31.417 1.00108.75 N ATOM 64 C GLN 388 24.660 26.117 36.483 1.00108.75 C ATOM 65 O GLN 388 25.722 25.531 36.691 1.00108.75 O ATOM 66 N CYS 389 23.832 26.505 37.473 1.00 88.31 N ATOM 67 CA CYS 389 24.137 26.330 38.870 1.00 88.31 C ATOM 68 CB CYS 389 23.196 27.139 39.780 1.00 88.31 C ATOM 69 SG CYS 389 23.550 26.925 41.549 1.00 88.31 S ATOM 70 C CYS 389 24.039 24.892 39.283 1.00 88.31 C ATOM 71 O CYS 389 24.918 24.372 39.968 1.00 88.31 O ATOM 72 N GLY 390 22.958 24.207 38.861 1.00 23.55 N ATOM 73 CA GLY 390 22.760 22.838 39.243 1.00 23.55 C ATOM 74 C GLY 390 21.873 22.811 40.449 1.00 23.55 C ATOM 75 O GLY 390 21.482 21.743 40.916 1.00 23.55 O ATOM 76 N LYS 391 21.516 23.994 40.986 1.00 57.28 N ATOM 77 CA LYS 391 20.672 24.029 42.145 1.00 57.28 C ATOM 78 CB LYS 391 20.401 25.451 42.661 1.00 57.28 C ATOM 79 CG LYS 391 19.603 25.462 43.964 1.00 57.28 C ATOM 80 CD LYS 391 19.653 26.791 44.720 1.00 57.28 C ATOM 81 CE LYS 391 18.804 26.787 45.990 1.00 57.28 C ATOM 82 NZ LYS 391 19.104 27.986 46.799 1.00 57.28 N ATOM 83 C LYS 391 19.362 23.428 41.759 1.00 57.28 C ATOM 84 O LYS 391 18.878 23.644 40.650 1.00 57.28 O ATOM 85 N GLY 392 18.744 22.652 42.677 1.00 39.17 N ATOM 86 CA GLY 392 17.520 21.986 42.336 1.00 39.17 C ATOM 87 C GLY 392 16.384 22.650 43.042 1.00 39.17 C ATOM 88 O GLY 392 16.529 23.153 44.157 1.00 39.17 O ATOM 89 N PHE 393 15.203 22.646 42.393 1.00135.38 N ATOM 90 CA PHE 393 14.050 23.282 42.958 1.00135.38 C ATOM 91 CB PHE 393 13.651 24.567 42.218 1.00135.38 C ATOM 92 CG PHE 393 14.785 25.535 42.291 1.00135.38 C ATOM 93 CD1 PHE 393 14.916 26.383 43.368 1.00135.38 C ATOM 94 CD2 PHE 393 15.721 25.589 41.283 1.00135.38 C ATOM 95 CE1 PHE 393 15.957 27.280 43.433 1.00135.38 C ATOM 96 CE2 PHE 393 16.764 26.484 41.343 1.00135.38 C ATOM 97 CZ PHE 393 16.882 27.333 42.418 1.00135.38 C ATOM 98 C PHE 393 12.896 22.340 42.839 1.00135.38 C ATOM 99 O PHE 393 12.863 21.475 41.966 1.00135.38 O ATOM 100 N THR 394 11.908 22.488 43.742 1.00102.55 N ATOM 101 CA THR 394 10.762 21.631 43.741 1.00102.55 C ATOM 102 CB THR 394 9.888 21.811 44.955 1.00102.55 C ATOM 103 OG1 THR 394 8.934 20.762 45.034 1.00102.55 O ATOM 104 CG2 THR 394 9.184 23.172 44.876 1.00102.55 C ATOM 105 C THR 394 9.950 21.880 42.501 1.00102.55 C ATOM 106 O THR 394 9.388 20.943 41.935 1.00102.55 O ATOM 107 N ARG 395 9.846 23.149 42.037 1.00 93.34 N ATOM 108 CA ARG 395 9.031 23.384 40.872 1.00 93.34 C ATOM 109 CB ARG 395 7.679 24.065 41.163 1.00 93.34 C ATOM 110 CG ARG 395 6.646 23.115 41.786 1.00 93.34 C ATOM 111 CD ARG 395 5.287 23.757 42.085 1.00 93.34 C ATOM 112 NE ARG 395 5.540 24.811 43.104 1.00 93.34 N ATOM 113 CZ ARG 395 5.059 26.077 42.939 1.00 93.34 C ATOM 114 NH1 ARG 395 4.278 26.369 41.861 1.00 93.34 N ATOM 115 NH2 ARG 395 5.392 27.045 43.843 1.00 93.34 N ATOM 116 C ARG 395 9.765 24.209 39.856 1.00 93.34 C ATOM 117 O ARG 395 10.785 24.832 40.134 1.00 93.34 O ATOM 118 N LYS 396 9.230 24.193 38.614 1.00 86.72 N ATOM 119 CA LYS 396 9.807 24.889 37.504 1.00 86.72 C ATOM 120 CB LYS 396 9.137 24.587 36.152 1.00 86.72 C ATOM 121 CG LYS 396 7.791 25.272 35.920 1.00 86.72 C ATOM 122 CD LYS 396 7.300 25.137 34.478 1.00 86.72 C ATOM 123 CE LYS 396 6.009 25.913 34.198 1.00 86.72 C ATOM 124 NZ LYS 396 5.551 25.659 32.814 1.00 86.72 N ATOM 125 C LYS 396 9.729 26.362 37.742 1.00 86.72 C ATOM 126 O LYS 396 10.634 27.099 37.356 1.00 86.72 O ATOM 127 N ASP 397 8.653 26.832 38.403 1.00 44.16 N ATOM 128 CA ASP 397 8.506 28.242 38.596 1.00 44.16 C ATOM 129 CB ASP 397 7.200 28.634 39.336 1.00 44.16 C ATOM 130 CG ASP 397 7.137 28.011 40.722 1.00 44.16 C ATOM 131 OD1 ASP 397 7.431 26.795 40.853 1.00 44.16 O ATOM 132 OD2 ASP 397 6.780 28.754 41.676 1.00 44.16 O ATOM 133 C ASP 397 9.695 28.723 39.359 1.00 44.16 C ATOM 134 O ASP 397 10.227 29.797 39.076 1.00 44.16 O ATOM 135 N TYR 398 10.146 27.929 40.349 1.00 95.41 N ATOM 136 CA TYR 398 11.286 28.308 41.132 1.00 95.41 C ATOM 137 CB TYR 398 11.648 27.288 42.227 1.00 95.41 C ATOM 138 CG TYR 398 10.668 27.440 43.334 1.00 95.41 C ATOM 139 CD1 TYR 398 10.803 28.497 44.201 1.00 95.41 C ATOM 140 CD2 TYR 398 9.643 26.545 43.528 1.00 95.41 C ATOM 141 CE1 TYR 398 9.929 28.684 45.242 1.00 95.41 C ATOM 142 CE2 TYR 398 8.763 26.723 44.570 1.00 95.41 C ATOM 143 CZ TYR 398 8.901 27.793 45.424 1.00 95.41 C ATOM 144 OH TYR 398 7.995 27.975 46.490 1.00 95.41 O ATOM 145 C TYR 398 12.498 28.409 40.262 1.00 95.41 C ATOM 146 O TYR 398 13.224 29.399 40.323 1.00 95.41 O ATOM 147 N LEU 399 12.731 27.397 39.405 1.00 53.67 N ATOM 148 CA LEU 399 13.919 27.402 38.601 1.00 53.67 C ATOM 149 CB LEU 399 14.010 26.183 37.651 1.00 53.67 C ATOM 150 CG LEU 399 15.389 25.942 36.975 1.00 53.67 C ATOM 151 CD1 LEU 399 15.283 24.810 35.940 1.00 53.67 C ATOM 152 CD2 LEU 399 16.047 27.208 36.396 1.00 53.67 C ATOM 153 C LEU 399 13.837 28.631 37.758 1.00 53.67 C ATOM 154 O LEU 399 14.823 29.346 37.585 1.00 53.67 O ATOM 155 N SER 400 12.626 28.920 37.240 1.00 51.18 N ATOM 156 CA SER 400 12.436 30.044 36.369 1.00 51.18 C ATOM 157 CB SER 400 10.951 30.300 36.033 1.00 51.18 C ATOM 158 OG SER 400 10.379 29.152 35.423 1.00 51.18 O ATOM 159 C SER 400 12.940 31.266 37.068 1.00 51.18 C ATOM 160 O SER 400 13.875 31.911 36.594 1.00 51.18 O ATOM 161 N GLN 401 12.369 31.597 38.244 1.00177.59 N ATOM 162 CA GLN 401 12.825 32.788 38.888 1.00177.59 C ATOM 163 CB GLN 401 11.765 33.440 39.788 1.00177.59 C ATOM 164 CG GLN 401 12.216 34.764 40.407 1.00177.59 C ATOM 165 CD GLN 401 11.033 35.356 41.163 1.00177.59 C ATOM 166 OE1 GLN 401 11.065 36.514 41.579 1.00177.59 O ATOM 167 NE2 GLN 401 9.951 34.549 41.339 1.00177.59 N ATOM 168 C GLN 401 13.974 32.411 39.754 1.00177.59 C ATOM 169 O GLN 401 13.866 32.368 40.979 1.00177.59 O ATOM 170 N HIS 402 15.125 32.148 39.118 1.00 69.02 N ATOM 171 CA HIS 402 16.277 31.803 39.881 1.00 69.02 C ATOM 172 ND1 HIS 402 18.139 30.257 41.688 1.00 69.02 N ATOM 173 CG HIS 402 18.047 30.070 40.326 1.00 69.02 C ATOM 174 CB HIS 402 16.841 30.423 39.516 1.00 69.02 C ATOM 175 NE2 HIS 402 20.074 29.378 41.026 1.00 69.02 N ATOM 176 CD2 HIS 402 19.231 29.533 39.939 1.00 69.02 C ATOM 177 CE1 HIS 402 19.374 29.827 42.052 1.00 69.02 C ATOM 178 C HIS 402 17.338 32.859 39.590 1.00 69.02 C ATOM 179 O HIS 402 17.981 32.756 38.510 1.00 69.02 O ATOM 180 OXT HIS 402 17.515 33.781 40.434 1.00 69.02 O