EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:05 REMARK 6 MODELLER OBJECTIVE FUNCTION: 95.7510 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1444.74561 REMARK 6 GA341 score: 0.91297 REMARK 6 Normalized DOPE score: -0.61238 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 286 -13.716 28.712 47.444 1.00 62.88 N ATOM 2 CA GLU 286 -14.916 29.463 47.864 1.00 62.88 C ATOM 3 CB GLU 286 -16.197 28.790 47.352 1.00 62.88 C ATOM 4 CG GLU 286 -16.430 28.924 45.850 1.00 62.88 C ATOM 5 CD GLU 286 -17.811 28.341 45.602 1.00 62.88 C ATOM 6 OE1 GLU 286 -18.165 27.365 46.317 1.00 62.88 O ATOM 7 OE2 GLU 286 -18.537 28.866 44.716 1.00 62.88 O ATOM 8 C GLU 286 -15.015 29.522 49.348 1.00 62.88 C ATOM 9 O GLU 286 -14.063 29.221 50.068 1.00 62.88 O ATOM 10 N LYS 287 -16.194 29.948 49.836 1.00 97.51 N ATOM 11 CA LYS 287 -16.428 30.027 51.247 1.00 97.51 C ATOM 12 CB LYS 287 -16.975 31.396 51.647 1.00 97.51 C ATOM 13 CG LYS 287 -16.076 32.535 51.185 1.00 97.51 C ATOM 14 CD LYS 287 -16.884 33.794 50.912 1.00 97.51 C ATOM 15 CE LYS 287 -17.868 33.560 49.764 1.00 97.51 C ATOM 16 NZ LYS 287 -18.709 34.753 49.551 1.00 97.51 N ATOM 17 C LYS 287 -17.521 29.055 51.526 1.00 97.51 C ATOM 18 O LYS 287 -18.703 29.372 51.381 1.00 97.51 O ATOM 19 N PRO 288 -17.149 27.882 51.930 1.00104.59 N ATOM 20 CA PRO 288 -18.080 26.824 52.191 1.00104.59 C ATOM 21 CD PRO 288 -15.788 27.405 51.768 1.00104.59 C ATOM 22 CB PRO 288 -17.236 25.553 52.323 1.00104.59 C ATOM 23 CG PRO 288 -15.792 26.059 52.504 1.00104.59 C ATOM 24 C PRO 288 -18.981 27.060 53.360 1.00104.59 C ATOM 25 O PRO 288 -20.072 26.495 53.376 1.00104.59 O ATOM 26 N PHE 289 -18.572 27.882 54.345 1.00 58.42 N ATOM 27 CA PHE 289 -19.387 27.993 55.522 1.00 58.42 C ATOM 28 CB PHE 289 -18.559 28.084 56.812 1.00 58.42 C ATOM 29 CG PHE 289 -17.936 26.745 56.949 1.00 58.42 C ATOM 30 CD1 PHE 289 -18.678 25.693 57.431 1.00 58.42 C ATOM 31 CD2 PHE 289 -16.623 26.539 56.596 1.00 58.42 C ATOM 32 CE1 PHE 289 -18.124 24.445 57.562 1.00 58.42 C ATOM 33 CE2 PHE 289 -16.061 25.294 56.724 1.00 58.42 C ATOM 34 CZ PHE 289 -16.812 24.246 57.202 1.00 58.42 C ATOM 35 C PHE 289 -20.259 29.198 55.441 1.00 58.42 C ATOM 36 O PHE 289 -19.778 30.320 55.274 1.00 58.42 O ATOM 37 N THR 290 -21.585 28.982 55.568 1.00100.42 N ATOM 38 CA THR 290 -22.526 30.062 55.510 1.00100.42 C ATOM 39 CB THR 290 -23.595 29.879 54.464 1.00100.42 C ATOM 40 OG1 THR 290 -24.385 28.732 54.742 1.00100.42 O ATOM 41 CG2 THR 290 -22.918 29.730 53.090 1.00100.42 C ATOM 42 C THR 290 -23.201 30.146 56.840 1.00100.42 C ATOM 43 O THR 290 -23.544 29.130 57.440 1.00100.42 O ATOM 44 N CYS 291 -23.379 31.379 57.352 1.00 92.25 N ATOM 45 CA CYS 291 -24.030 31.532 58.617 1.00 92.25 C ATOM 46 CB CYS 291 -23.662 32.825 59.355 1.00 92.25 C ATOM 47 SG CYS 291 -24.205 34.309 58.463 1.00 92.25 S ATOM 48 C CYS 291 -25.504 31.519 58.392 1.00 92.25 C ATOM 49 O CYS 291 -26.020 32.123 57.452 1.00 92.25 O ATOM 50 N THR 292 -26.225 30.815 59.277 1.00 41.20 N ATOM 51 CA THR 292 -27.644 30.695 59.139 1.00 41.20 C ATOM 52 CB THR 292 -28.244 29.748 60.131 1.00 41.20 C ATOM 53 OG1 THR 292 -27.667 28.460 59.990 1.00 41.20 O ATOM 54 CG2 THR 292 -29.756 29.673 59.872 1.00 41.20 C ATOM 55 C THR 292 -28.310 32.017 59.341 1.00 41.20 C ATOM 56 O THR 292 -29.258 32.345 58.629 1.00 41.20 O ATOM 57 N GLN 293 -27.874 32.803 60.345 1.00111.38 N ATOM 58 CA GLN 293 -28.607 34.009 60.600 1.00111.38 C ATOM 59 CB GLN 293 -28.168 34.697 61.900 1.00111.38 C ATOM 60 CG GLN 293 -28.361 33.838 63.149 1.00111.38 C ATOM 61 CD GLN 293 -27.895 34.661 64.343 1.00111.38 C ATOM 62 OE1 GLN 293 -26.972 34.275 65.058 1.00111.38 O ATOM 63 NE2 GLN 293 -28.557 35.829 64.567 1.00111.38 N ATOM 64 C GLN 293 -28.452 35.030 59.510 1.00111.38 C ATOM 65 O GLN 293 -29.433 35.444 58.893 1.00111.38 O ATOM 66 N CYS 294 -27.200 35.465 59.255 1.00100.55 N ATOM 67 CA CYS 294 -26.877 36.500 58.305 1.00100.55 C ATOM 68 CB CYS 294 -25.480 37.103 58.550 1.00100.55 C ATOM 69 SG CYS 294 -25.022 38.357 57.318 1.00100.55 S ATOM 70 C CYS 294 -26.946 36.042 56.877 1.00100.55 C ATOM 71 O CYS 294 -27.452 36.761 56.018 1.00100.55 O ATOM 72 N GLY 295 -26.438 34.829 56.583 1.00 26.62 N ATOM 73 CA GLY 295 -26.390 34.351 55.227 1.00 26.62 C ATOM 74 C GLY 295 -25.024 34.636 54.667 1.00 26.62 C ATOM 75 O GLY 295 -24.738 34.314 53.514 1.00 26.62 O ATOM 76 N LYS 296 -24.139 35.242 55.487 1.00 88.03 N ATOM 77 CA LYS 296 -22.796 35.590 55.103 1.00 88.03 C ATOM 78 CB LYS 296 -22.133 36.531 56.128 1.00 88.03 C ATOM 79 CG LYS 296 -20.730 37.011 55.757 1.00 88.03 C ATOM 80 CD LYS 296 -20.291 38.259 56.528 1.00 88.03 C ATOM 81 CE LYS 296 -18.809 38.597 56.354 1.00 88.03 C ATOM 82 NZ LYS 296 -18.434 38.537 54.925 1.00 88.03 N ATOM 83 C LYS 296 -21.984 34.330 54.989 1.00 88.03 C ATOM 84 O LYS 296 -22.209 33.377 55.732 1.00 88.03 O ATOM 85 N CYS 297 -21.016 34.299 54.038 1.00 55.23 N ATOM 86 CA CYS 297 -20.221 33.121 53.791 1.00 55.23 C ATOM 87 CB CYS 297 -20.104 32.785 52.293 1.00 55.23 C ATOM 88 SG CYS 297 -21.703 32.474 51.488 1.00 55.23 S ATOM 89 C CYS 297 -18.816 33.365 54.263 1.00 55.23 C ATOM 90 O CYS 297 -18.313 34.484 54.187 1.00 55.23 O ATOM 91 N PHE 298 -18.135 32.297 54.748 1.00142.93 N ATOM 92 CA PHE 298 -16.797 32.436 55.254 1.00142.93 C ATOM 93 CB PHE 298 -16.718 32.275 56.781 1.00142.93 C ATOM 94 CG PHE 298 -17.477 33.396 57.397 1.00142.93 C ATOM 95 CD1 PHE 298 -18.840 33.301 57.548 1.00142.93 C ATOM 96 CD2 PHE 298 -16.831 34.539 57.811 1.00142.93 C ATOM 97 CE1 PHE 298 -19.545 34.338 58.115 1.00142.93 C ATOM 98 CE2 PHE 298 -17.532 35.576 58.381 1.00142.93 C ATOM 99 CZ PHE 298 -18.894 35.476 58.528 1.00142.93 C ATOM 100 C PHE 298 -15.926 31.355 54.689 1.00142.93 C ATOM 101 O PHE 298 -16.369 30.240 54.415 1.00142.93 O ATOM 102 N THR 299 -14.638 31.691 54.484 1.00106.65 N ATOM 103 CA THR 299 -13.662 30.759 54.004 1.00106.65 C ATOM 104 CB THR 299 -12.389 31.425 53.577 1.00106.65 C ATOM 105 OG1 THR 299 -11.837 32.175 54.648 1.00106.65 O ATOM 106 CG2 THR 299 -12.696 32.343 52.382 1.00106.65 C ATOM 107 C THR 299 -13.364 29.745 55.072 1.00106.65 C ATOM 108 O THR 299 -13.127 28.576 54.768 1.00106.65 O ATOM 109 N CYS 300 -13.354 30.150 56.361 1.00 36.75 N ATOM 110 CA CYS 300 -13.001 29.180 57.364 1.00 36.75 C ATOM 111 CB CYS 300 -11.676 29.486 58.078 1.00 36.75 C ATOM 112 SG CYS 300 -10.243 29.307 56.974 1.00 36.75 S ATOM 113 C CYS 300 -14.067 29.064 58.418 1.00 36.75 C ATOM 114 O CYS 300 -14.816 29.992 58.704 1.00 36.75 O ATOM 115 N SER 301 -14.148 27.867 59.032 1.00 29.59 N ATOM 116 CA SER 301 -15.128 27.570 60.037 1.00 29.59 C ATOM 117 CB SER 301 -15.083 26.112 60.522 1.00 29.59 C ATOM 118 OG SER 301 -15.495 25.239 59.481 1.00 29.59 O ATOM 119 C SER 301 -14.880 28.418 61.238 1.00 29.59 C ATOM 120 O SER 301 -15.826 28.900 61.857 1.00 29.59 O ATOM 121 N SER 302 -13.599 28.639 61.587 1.00 64.26 N ATOM 122 CA SER 302 -13.266 29.376 62.774 1.00 64.26 C ATOM 123 CB SER 302 -11.755 29.579 62.969 1.00 64.26 C ATOM 124 OG SER 302 -11.527 30.322 64.158 1.00 64.26 O ATOM 125 C SER 302 -13.843 30.748 62.680 1.00 64.26 C ATOM 126 O SER 302 -14.381 31.267 63.659 1.00 64.26 O ATOM 127 N THR 303 -13.727 31.386 61.499 1.00 98.30 N ATOM 128 CA THR 303 -14.240 32.719 61.354 1.00 98.30 C ATOM 129 CB THR 303 -13.890 33.391 60.052 1.00 98.30 C ATOM 130 OG1 THR 303 -14.244 34.766 60.104 1.00 98.30 O ATOM 131 CG2 THR 303 -14.632 32.712 58.894 1.00 98.30 C ATOM 132 C THR 303 -15.731 32.675 61.470 1.00 98.30 C ATOM 133 O THR 303 -16.351 33.574 62.034 1.00 98.30 O ATOM 134 N LEU 304 -16.353 31.608 60.943 1.00112.23 N ATOM 135 CA LEU 304 -17.783 31.507 60.967 1.00112.23 C ATOM 136 CB LEU 304 -18.260 30.159 60.405 1.00112.23 C ATOM 137 CG LEU 304 -19.765 30.047 60.068 1.00112.23 C ATOM 138 CD1 LEU 304 -20.146 28.573 59.867 1.00112.23 C ATOM 139 CD2 LEU 304 -20.690 30.793 61.041 1.00112.23 C ATOM 140 C LEU 304 -18.193 31.531 62.410 1.00112.23 C ATOM 141 O LEU 304 -19.138 32.216 62.787 1.00112.23 O ATOM 142 N ASN 305 -17.468 30.782 63.262 1.00 43.61 N ATOM 143 CA ASN 305 -17.777 30.697 64.663 1.00 43.61 C ATOM 144 CB ASN 305 -16.787 29.818 65.448 1.00 43.61 C ATOM 145 CG ASN 305 -17.000 28.369 65.050 1.00 43.61 C ATOM 146 OD1 ASN 305 -16.438 27.461 65.660 1.00 43.61 O ATOM 147 ND2 ASN 305 -17.832 28.138 64.000 1.00 43.61 N ATOM 148 C ASN 305 -17.662 32.060 65.260 1.00 43.61 C ATOM 149 O ASN 305 -18.484 32.472 66.076 1.00 43.61 O ATOM 150 N GLN 306 -16.626 32.807 64.848 1.00 70.55 N ATOM 151 CA GLN 306 -16.383 34.099 65.414 1.00 70.55 C ATOM 152 CB GLN 306 -15.215 34.812 64.706 1.00 70.55 C ATOM 153 CG GLN 306 -13.892 34.038 64.694 1.00 70.55 C ATOM 154 CD GLN 306 -13.143 34.282 65.995 1.00 70.55 C ATOM 155 OE1 GLN 306 -13.268 35.337 66.618 1.00 70.55 O ATOM 156 NE2 GLN 306 -12.341 33.267 66.417 1.00 70.55 N ATOM 157 C GLN 306 -17.594 34.927 65.133 1.00 70.55 C ATOM 158 O GLN 306 -18.118 35.611 66.012 1.00 70.55 O ATOM 159 N HIS 307 -18.085 34.840 63.882 1.00 42.54 N ATOM 160 CA HIS 307 -19.197 35.618 63.412 1.00 42.54 C ATOM 161 ND1 HIS 307 -20.523 37.589 61.180 1.00 42.54 N ATOM 162 CG HIS 307 -20.617 36.233 61.395 1.00 42.54 C ATOM 163 CB HIS 307 -19.502 35.371 61.919 1.00 42.54 C ATOM 164 NE2 HIS 307 -22.586 36.995 60.594 1.00 42.54 N ATOM 165 CD2 HIS 307 -21.882 35.887 61.033 1.00 42.54 C ATOM 166 CE1 HIS 307 -21.729 37.994 60.699 1.00 42.54 C ATOM 167 C HIS 307 -20.432 35.269 64.181 1.00 42.54 C ATOM 168 O HIS 307 -21.193 36.153 64.574 1.00 42.54 O ATOM 169 N MET 308 -20.652 33.960 64.417 1.00 46.05 N ATOM 170 CA MET 308 -21.820 33.496 65.110 1.00 46.05 C ATOM 171 CB MET 308 -21.762 32.008 65.499 1.00 46.05 C ATOM 172 CG MET 308 -21.870 31.044 64.316 1.00 46.05 C ATOM 173 SD MET 308 -21.816 29.280 64.757 1.00 46.05 S ATOM 174 CE MET 308 -23.375 29.298 65.690 1.00 46.05 C ATOM 175 C MET 308 -21.991 34.276 66.405 1.00 46.05 C ATOM 176 O MET 308 -23.079 34.888 66.570 1.00 46.05 O ATOM 177 OXT MET 308 -21.052 34.261 67.247 1.00 46.05 O