EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 88.8318 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1436.41614 REMARK 6 GA341 score: 0.83803 REMARK 6 Normalized DOPE score: -0.92358 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 231 0.135 43.855 47.132 1.00 56.07 N ATOM 2 CA GLU 231 -1.311 43.555 47.259 1.00 56.07 C ATOM 3 CB GLU 231 -1.532 42.043 47.138 1.00 56.07 C ATOM 4 CG GLU 231 -1.158 41.497 45.759 1.00 56.07 C ATOM 5 CD GLU 231 -1.107 39.974 45.860 1.00 56.07 C ATOM 6 OE1 GLU 231 -0.817 39.464 46.975 1.00 56.07 O ATOM 7 OE2 GLU 231 -1.361 39.300 44.825 1.00 56.07 O ATOM 8 C GLU 231 -1.800 43.994 48.599 1.00 56.07 C ATOM 9 O GLU 231 -1.028 44.516 49.399 1.00 56.07 O ATOM 10 N LYS 232 -3.109 43.813 48.871 1.00145.98 N ATOM 11 CA LYS 232 -3.642 44.226 50.136 1.00145.98 C ATOM 12 CB LYS 232 -4.436 45.536 49.988 1.00145.98 C ATOM 13 CG LYS 232 -5.322 45.546 48.736 1.00145.98 C ATOM 14 CD LYS 232 -6.138 46.828 48.562 1.00145.98 C ATOM 15 CE LYS 232 -5.279 48.050 48.244 1.00145.98 C ATOM 16 NZ LYS 232 -5.457 48.460 46.832 1.00145.98 N ATOM 17 C LYS 232 -4.548 43.141 50.638 1.00145.98 C ATOM 18 O LYS 232 -5.744 43.115 50.347 1.00145.98 O ATOM 19 N PRO 233 -3.961 42.217 51.350 1.00 88.56 N ATOM 20 CA PRO 233 -4.662 41.098 51.929 1.00 88.56 C ATOM 21 CD PRO 233 -2.547 41.944 51.174 1.00 88.56 C ATOM 22 CB PRO 233 -3.612 40.003 52.142 1.00 88.56 C ATOM 23 CG PRO 233 -2.269 40.748 52.098 1.00 88.56 C ATOM 24 C PRO 233 -5.469 41.362 53.169 1.00 88.56 C ATOM 25 O PRO 233 -6.378 40.581 53.441 1.00 88.56 O ATOM 26 N PHE 234 -5.168 42.424 53.944 1.00 75.12 N ATOM 27 CA PHE 234 -5.880 42.587 55.183 1.00 75.12 C ATOM 28 CB PHE 234 -4.983 42.892 56.391 1.00 75.12 C ATOM 29 CG PHE 234 -4.456 41.607 56.914 1.00 75.12 C ATOM 30 CD1 PHE 234 -3.466 40.906 56.264 1.00 75.12 C ATOM 31 CD2 PHE 234 -4.964 41.118 58.092 1.00 75.12 C ATOM 32 CE1 PHE 234 -3.000 39.723 56.792 1.00 75.12 C ATOM 33 CE2 PHE 234 -4.504 39.941 58.623 1.00 75.12 C ATOM 34 CZ PHE 234 -3.522 39.239 57.969 1.00 75.12 C ATOM 35 C PHE 234 -6.851 43.703 55.089 1.00 75.12 C ATOM 36 O PHE 234 -6.507 44.807 54.671 1.00 75.12 O ATOM 37 N THR 235 -8.101 43.443 55.517 1.00108.22 N ATOM 38 CA THR 235 -9.101 44.466 55.447 1.00108.22 C ATOM 39 CB THR 235 -10.283 44.120 54.585 0.50108.22 C ATOM 40 OG1 THR 235 -10.956 42.983 55.103 1.00108.22 O ATOM 41 CG2 THR 235 -9.787 43.845 53.154 1.00108.22 C ATOM 42 C THR 235 -9.617 44.768 56.822 1.00108.22 C ATOM 43 O THR 235 -9.737 43.891 57.680 1.00108.22 O ATOM 44 N CYS 236 -9.920 46.063 57.040 1.00 51.58 N ATOM 45 CA CYS 236 -10.443 46.617 58.258 1.00 51.58 C ATOM 46 CB CYS 236 -10.367 48.160 58.220 1.00 51.58 C ATOM 47 SG CYS 236 -10.968 49.005 59.712 1.00 51.58 S ATOM 48 C CYS 236 -11.888 46.220 58.332 1.00 51.58 C ATOM 49 O CYS 236 -12.652 46.439 57.394 1.00 51.58 O ATOM 50 N THR 237 -12.300 45.610 59.460 1.00110.36 N ATOM 51 CA THR 237 -13.653 45.150 59.584 1.00110.36 C ATOM 52 CB THR 237 -13.892 44.348 60.834 1.00110.36 C ATOM 53 OG1 THR 237 -15.197 43.784 60.809 1.00110.36 O ATOM 54 CG2 THR 237 -13.705 45.249 62.069 1.00110.36 C ATOM 55 C THR 237 -14.614 46.304 59.574 1.00110.36 C ATOM 56 O THR 237 -15.661 46.226 58.932 1.00110.36 O ATOM 57 N ILE 238 -14.330 47.386 60.332 1.00165.76 N ATOM 58 CA ILE 238 -15.269 48.470 60.319 1.00165.76 C ATOM 59 CB ILE 238 -15.159 49.389 61.514 1.00165.76 C ATOM 60 CG1 ILE 238 -13.751 49.978 61.688 1.00165.76 C ATOM 61 CG2 ILE 238 -15.618 48.586 62.740 1.00165.76 C ATOM 62 CD1 ILE 238 -12.737 48.962 62.217 1.00165.76 C ATOM 63 C ILE 238 -15.228 49.279 59.051 1.00165.76 C ATOM 64 O ILE 238 -16.249 49.447 58.384 1.00165.76 O ATOM 65 N CYS 239 -14.033 49.781 58.684 1.00 92.24 N ATOM 66 CA CYS 239 -13.831 50.634 57.541 1.00 92.24 C ATOM 67 CB CYS 239 -12.406 51.219 57.537 1.00 92.24 C ATOM 68 SG CYS 239 -12.055 52.249 56.082 1.00 92.24 S ATOM 69 C CYS 239 -14.029 49.877 56.258 1.00 92.24 C ATOM 70 O CYS 239 -14.696 50.364 55.344 1.00 92.24 O ATOM 71 N GLY 240 -13.455 48.658 56.158 1.00 23.95 N ATOM 72 CA GLY 240 -13.576 47.862 54.968 1.00 23.95 C ATOM 73 C GLY 240 -12.414 48.145 54.061 1.00 23.95 C ATOM 74 O GLY 240 -12.332 47.596 52.963 1.00 23.95 O ATOM 75 N LYS 241 -11.481 49.013 54.492 1.00 42.97 N ATOM 76 CA LYS 241 -10.345 49.342 53.679 1.00 42.97 C ATOM 77 CB LYS 241 -9.645 50.621 54.149 1.00 42.97 C ATOM 78 CG LYS 241 -8.467 51.071 53.287 1.00 42.97 C ATOM 79 CD LYS 241 -8.091 52.533 53.538 1.00 42.97 C ATOM 80 CE LYS 241 -6.905 53.030 52.715 1.00 42.97 C ATOM 81 NZ LYS 241 -6.656 54.463 53.003 1.00 42.97 N ATOM 82 C LYS 241 -9.372 48.212 53.768 1.00 42.97 C ATOM 83 O LYS 241 -9.341 47.486 54.759 1.00 42.97 O ATOM 84 N SER 242 -8.550 48.023 52.716 1.00 83.23 N ATOM 85 CA SER 242 -7.615 46.936 52.772 1.00 83.23 C ATOM 86 CB SER 242 -7.708 45.946 51.609 1.00 83.23 C ATOM 87 OG SER 242 -6.811 44.880 51.867 1.00 83.23 O ATOM 88 C SER 242 -6.225 47.491 52.792 1.00 83.23 C ATOM 89 O SER 242 -5.969 48.579 52.281 1.00 83.23 O ATOM 90 N PHE 243 -5.288 46.736 53.406 1.00 61.90 N ATOM 91 CA PHE 243 -3.939 47.200 53.574 1.00 61.90 C ATOM 92 CB PHE 243 -3.640 47.610 55.029 1.00 61.90 C ATOM 93 CG PHE 243 -4.613 48.681 55.398 1.00 61.90 C ATOM 94 CD1 PHE 243 -5.883 48.357 55.811 1.00 61.90 C ATOM 95 CD2 PHE 243 -4.261 50.012 55.334 1.00 61.90 C ATOM 96 CE1 PHE 243 -6.785 49.335 56.156 1.00 61.90 C ATOM 97 CE2 PHE 243 -5.160 50.997 55.678 1.00 61.90 C ATOM 98 CZ PHE 243 -6.427 50.661 56.088 1.00 61.90 C ATOM 99 C PHE 243 -2.974 46.109 53.196 1.00 61.90 C ATOM 100 O PHE 243 -3.291 44.920 53.227 1.00 61.90 O ATOM 101 N ASN 244 -1.751 46.526 52.810 1.00 51.70 N ATOM 102 CA ASN 244 -0.697 45.657 52.364 1.00 51.70 C ATOM 103 CB ASN 244 0.486 46.409 51.721 1.00 51.70 C ATOM 104 CG ASN 244 1.235 47.222 52.770 1.00 51.70 C ATOM 105 OD1 ASN 244 0.651 48.006 53.516 1.00 51.70 O ATOM 106 ND2 ASN 244 2.577 47.014 52.833 1.00 51.70 N ATOM 107 C ASN 244 -0.168 44.823 53.491 1.00 51.70 C ATOM 108 O ASN 244 0.233 43.679 53.274 1.00 51.70 O ATOM 109 N CYS 245 -0.109 45.372 54.723 1.00 38.26 N ATOM 110 CA CYS 245 0.455 44.577 55.779 1.00 38.26 C ATOM 111 CB CYS 245 1.790 45.109 56.317 1.00 38.26 C ATOM 112 SG CYS 245 3.125 44.958 55.097 1.00 38.26 S ATOM 113 C CYS 245 -0.488 44.504 56.937 1.00 38.26 C ATOM 114 O CYS 245 -1.234 45.440 57.218 1.00 38.26 O ATOM 115 N SER 246 -0.464 43.353 57.645 1.00 31.19 N ATOM 116 CA SER 246 -1.317 43.116 58.775 1.00 31.19 C ATOM 117 CB SER 246 -1.230 41.677 59.315 1.00 31.19 C ATOM 118 OG SER 246 0.060 41.427 59.854 1.00 31.19 O ATOM 119 C SER 246 -0.932 44.038 59.886 1.00 31.19 C ATOM 120 O SER 246 -1.786 44.495 60.644 1.00 31.19 O ATOM 121 N SER 247 0.375 44.345 59.996 1.00 27.65 N ATOM 122 CA SER 247 0.869 45.196 61.042 1.00 27.65 C ATOM 123 CB SER 247 2.387 45.429 60.929 1.00 27.65 C ATOM 124 OG SER 247 2.677 46.134 59.730 1.00 27.65 O ATOM 125 C SER 247 0.210 46.531 60.902 1.00 27.65 C ATOM 126 O SER 247 -0.197 47.146 61.886 1.00 27.65 O ATOM 127 N HIS 248 0.108 47.022 59.653 1.00 46.69 N ATOM 128 CA HIS 248 -0.479 48.304 59.403 1.00 46.69 C ATOM 129 ND1 HIS 248 2.137 49.434 58.334 1.00 46.69 N ATOM 130 CG HIS 248 1.156 48.861 57.556 1.00 46.69 C ATOM 131 CB HIS 248 -0.290 48.788 57.952 1.00 46.69 C ATOM 132 NE2 HIS 248 3.140 48.695 56.492 1.00 46.69 N ATOM 133 CD2 HIS 248 1.784 48.417 56.435 1.00 46.69 C ATOM 134 CE1 HIS 248 3.303 49.306 57.651 1.00 46.69 C ATOM 135 C HIS 248 -1.944 48.224 59.700 1.00 46.69 C ATOM 136 O HIS 248 -2.535 49.167 60.221 1.00 46.69 O ATOM 137 N ARG 249 -2.586 47.088 59.377 1.00 94.64 N ATOM 138 CA ARG 249 -3.994 47.014 59.629 1.00 94.64 C ATOM 139 CB ARG 249 -4.632 45.681 59.217 0.50 94.64 C ATOM 140 CG ARG 249 -6.150 45.673 59.442 0.50 94.64 C ATOM 141 CD ARG 249 -6.752 44.269 59.489 1.00 94.64 C ATOM 142 NE ARG 249 -6.429 43.716 60.836 1.00 94.64 N ATOM 143 CZ ARG 249 -6.777 42.437 61.167 1.00 94.64 C ATOM 144 NH1 ARG 249 -7.461 41.664 60.274 1.00 94.64 N ATOM 145 NH2 ARG 249 -6.436 41.924 62.388 1.00 94.64 N ATOM 146 C ARG 249 -4.236 47.132 61.099 1.00 94.64 C ATOM 147 O ARG 249 -5.105 47.884 61.535 1.00 94.64 O ATOM 148 N ASN 250 -3.449 46.408 61.914 1.00 61.16 N ATOM 149 CA ASN 250 -3.707 46.396 63.323 1.00 61.16 C ATOM 150 CB ASN 250 -2.777 45.461 64.107 1.00 61.16 C ATOM 151 CG ASN 250 -3.423 45.228 65.465 1.00 61.16 C ATOM 152 OD1 ASN 250 -4.444 45.828 65.800 1.00 61.16 O ATOM 153 ND2 ASN 250 -2.806 44.330 66.275 1.00 61.16 N ATOM 154 C ASN 250 -3.540 47.772 63.879 1.00 61.16 C ATOM 155 O ASN 250 -4.357 48.225 64.680 1.00 61.16 O ATOM 156 N GLN 251 -2.476 48.472 63.449 1.00 29.77 N ATOM 157 CA GLN 251 -2.187 49.794 63.915 1.00 29.77 C ATOM 158 CB GLN 251 -0.913 50.367 63.267 1.00 29.77 C ATOM 159 CG GLN 251 0.370 49.608 63.633 1.00 29.77 C ATOM 160 CD GLN 251 1.531 50.166 62.810 1.00 29.77 C ATOM 161 OE1 GLN 251 1.497 50.156 61.580 1.00 29.77 O ATOM 162 NE2 GLN 251 2.591 50.662 63.503 1.00 29.77 N ATOM 163 C GLN 251 -3.327 50.658 63.497 1.00 29.77 C ATOM 164 O GLN 251 -3.792 51.510 64.252 1.00 29.77 O ATOM 165 N HIS 252 -3.819 50.422 62.270 1.00 43.96 N ATOM 166 CA HIS 252 -4.880 51.186 61.695 1.00 43.96 C ATOM 167 ND1 HIS 252 -6.155 52.619 58.945 1.00 43.96 N ATOM 168 CG HIS 252 -6.344 51.447 59.642 1.00 43.96 C ATOM 169 CB HIS 252 -5.239 50.675 60.296 1.00 43.96 C ATOM 170 NE2 HIS 252 -8.330 52.159 58.839 1.00 43.96 N ATOM 171 CD2 HIS 252 -7.677 51.180 59.569 1.00 43.96 C ATOM 172 CE1 HIS 252 -7.375 53.000 58.485 1.00 43.96 C ATOM 173 C HIS 252 -6.101 51.040 62.541 1.00 43.96 C ATOM 174 O HIS 252 -6.785 52.018 62.837 1.00 43.96 O ATOM 175 N MET 253 -6.409 49.798 62.954 1.00 42.22 N ATOM 176 CA MET 253 -7.577 49.587 63.751 1.00 42.22 C ATOM 177 CB MET 253 -7.897 48.105 63.978 1.00 42.22 C ATOM 178 CG MET 253 -8.390 47.386 62.726 1.00 42.22 C ATOM 179 SD MET 253 -8.745 45.629 63.000 1.00 42.22 S ATOM 180 CE MET 253 -10.139 45.928 64.124 1.00 42.22 C ATOM 181 C MET 253 -7.323 50.199 65.116 1.00 42.22 C ATOM 182 O MET 253 -8.306 50.336 65.892 1.00 42.22 O ATOM 183 OXT MET 253 -6.143 50.532 65.400 1.00 42.22 O