EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:28 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.8386 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1254.51514 REMARK 6 GA341 score: 0.99568 REMARK 6 Normalized DOPE score: -0.65209 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 231 -5.991 16.713 68.219 1.00 97.97 N ATOM 2 CA GLU 231 -5.848 15.359 67.637 1.00 97.97 C ATOM 3 CB GLU 231 -7.078 14.508 67.984 1.00 97.97 C ATOM 4 CG GLU 231 -7.246 14.287 69.490 1.00 97.97 C ATOM 5 CD GLU 231 -7.941 15.515 70.066 1.00 97.97 C ATOM 6 OE1 GLU 231 -9.195 15.581 69.956 1.00 97.97 O ATOM 7 OE2 GLU 231 -7.232 16.396 70.624 1.00 97.97 O ATOM 8 C GLU 231 -5.729 15.498 66.157 1.00 97.97 C ATOM 9 O GLU 231 -4.634 15.710 65.640 1.00 97.97 O ATOM 10 N LYS 232 -6.851 15.393 65.416 1.00121.75 N ATOM 11 CA LYS 232 -6.765 15.619 63.998 1.00121.75 C ATOM 12 CB LYS 232 -7.343 14.461 63.172 1.00121.75 C ATOM 13 CG LYS 232 -6.500 13.190 63.258 1.00121.75 C ATOM 14 CD LYS 232 -6.411 12.599 64.669 1.00121.75 C ATOM 15 CE LYS 232 -5.669 11.261 64.707 1.00121.75 C ATOM 16 NZ LYS 232 -4.382 11.391 63.988 1.00121.75 N ATOM 17 C LYS 232 -7.603 16.826 63.716 1.00121.75 C ATOM 18 O LYS 232 -8.794 16.711 63.437 1.00121.75 O ATOM 19 N PRO 233 -6.988 17.978 63.800 1.00111.53 N ATOM 20 CA PRO 233 -7.686 19.222 63.600 1.00111.53 C ATOM 21 CD PRO 233 -5.877 18.138 64.724 1.00111.53 C ATOM 22 CB PRO 233 -6.810 20.303 64.235 1.00111.53 C ATOM 23 CG PRO 233 -5.994 19.553 65.295 1.00111.53 C ATOM 24 C PRO 233 -8.054 19.552 62.184 1.00111.53 C ATOM 25 O PRO 233 -8.900 20.425 61.992 1.00111.53 O ATOM 26 N PHE 234 -7.444 18.896 61.180 1.00 67.33 N ATOM 27 CA PHE 234 -7.702 19.331 59.838 1.00 67.33 C ATOM 28 CB PHE 234 -6.430 19.310 58.974 1.00 67.33 C ATOM 29 CG PHE 234 -5.432 20.063 59.781 1.00 67.33 C ATOM 30 CD1 PHE 234 -5.552 21.423 59.941 1.00 67.33 C ATOM 31 CD2 PHE 234 -4.384 19.405 60.385 1.00 67.33 C ATOM 32 CE1 PHE 234 -4.635 22.118 60.694 1.00 67.33 C ATOM 33 CE2 PHE 234 -3.465 20.096 61.138 1.00 67.33 C ATOM 34 CZ PHE 234 -3.594 21.454 61.296 1.00 67.33 C ATOM 35 C PHE 234 -8.721 18.425 59.220 1.00 67.33 C ATOM 36 O PHE 234 -8.503 17.222 59.081 1.00 67.33 O ATOM 37 N THR 235 -9.863 19.014 58.804 1.00106.20 N ATOM 38 CA THR 235 -10.954 18.263 58.256 1.00106.20 C ATOM 39 CB THR 235 -12.243 18.560 58.973 1.00106.20 C ATOM 40 OG1 THR 235 -13.309 17.794 58.431 1.00106.20 O ATOM 41 CG2 THR 235 -12.544 20.069 58.866 1.00106.20 C ATOM 42 C THR 235 -11.133 18.632 56.812 1.00106.20 C ATOM 43 O THR 235 -11.078 19.807 56.448 1.00106.20 O ATOM 44 N CYS 236 -11.319 17.611 55.944 1.00 45.96 N ATOM 45 CA CYS 236 -11.570 17.838 54.543 1.00 45.96 C ATOM 46 CB CYS 236 -11.265 16.612 53.654 1.00 45.96 C ATOM 47 SG CYS 236 -11.584 16.881 51.879 1.00 45.96 S ATOM 48 C CYS 236 -13.022 18.168 54.402 1.00 45.96 C ATOM 49 O CYS 236 -13.885 17.441 54.889 1.00 45.96 O ATOM 50 N THR 237 -13.337 19.281 53.717 1.00109.34 N ATOM 51 CA THR 237 -14.710 19.674 53.624 1.00109.34 C ATOM 52 CB THR 237 -14.909 21.015 52.978 1.00109.34 C ATOM 53 OG1 THR 237 -14.455 20.996 51.633 1.00109.34 O ATOM 54 CG2 THR 237 -14.143 22.069 53.791 1.00109.34 C ATOM 55 C THR 237 -15.480 18.664 52.839 1.00109.34 C ATOM 56 O THR 237 -16.629 18.368 53.170 1.00109.34 O ATOM 57 N GLN 238 -14.887 18.139 51.749 1.00103.24 N ATOM 58 CA GLN 238 -15.662 17.268 50.916 1.00103.24 C ATOM 59 CB GLN 238 -14.936 16.944 49.603 1.00103.24 C ATOM 60 CG GLN 238 -15.855 16.397 48.505 1.00103.24 C ATOM 61 CD GLN 238 -16.480 17.590 47.790 1.00103.24 C ATOM 62 OE1 GLN 238 -15.785 18.536 47.423 1.00103.24 O ATOM 63 NE2 GLN 238 -17.825 17.546 47.588 1.00103.24 N ATOM 64 C GLN 238 -15.998 15.950 51.574 1.00103.24 C ATOM 65 O GLN 238 -17.174 15.634 51.761 1.00103.24 O ATOM 66 N CYS 239 -14.971 15.145 51.929 1.00 65.12 N ATOM 67 CA CYS 239 -15.149 13.833 52.503 1.00 65.12 C ATOM 68 CB CYS 239 -13.915 12.938 52.303 1.00 65.12 C ATOM 69 SG CYS 239 -12.385 13.704 52.916 1.00 65.12 S ATOM 70 C CYS 239 -15.499 13.856 53.964 1.00 65.12 C ATOM 71 O CYS 239 -16.334 13.074 54.418 1.00 65.12 O ATOM 72 N GLY 240 -14.871 14.752 54.750 1.00 28.57 N ATOM 73 CA GLY 240 -15.124 14.786 56.165 1.00 28.57 C ATOM 74 C GLY 240 -14.030 14.052 56.894 1.00 28.57 C ATOM 75 O GLY 240 -14.066 13.943 58.120 1.00 28.57 O ATOM 76 N LYS 241 -13.024 13.519 56.165 1.00 56.83 N ATOM 77 CA LYS 241 -11.951 12.804 56.807 1.00 56.83 C ATOM 78 CB LYS 241 -11.117 11.942 55.834 1.00 56.83 C ATOM 79 CG LYS 241 -10.168 10.957 56.522 1.00 56.83 C ATOM 80 CD LYS 241 -9.644 9.863 55.585 1.00 56.83 C ATOM 81 CE LYS 241 -8.781 8.815 56.290 1.00 56.83 C ATOM 82 NZ LYS 241 -8.422 7.735 55.347 1.00 56.83 N ATOM 83 C LYS 241 -11.047 13.801 57.473 1.00 56.83 C ATOM 84 O LYS 241 -10.827 14.896 56.957 1.00 56.83 O ATOM 85 N SER 242 -10.493 13.439 58.651 1.00 95.98 N ATOM 86 CA SER 242 -9.677 14.379 59.372 1.00 95.98 C ATOM 87 CB SER 242 -10.137 14.586 60.822 1.00 95.98 C ATOM 88 OG SER 242 -10.131 13.345 61.508 1.00 95.98 O ATOM 89 C SER 242 -8.254 13.907 59.407 1.00 95.98 C ATOM 90 O SER 242 -7.977 12.709 59.398 1.00 95.98 O ATOM 91 N PHE 243 -7.302 14.868 59.456 1.00152.53 N ATOM 92 CA PHE 243 -5.901 14.539 59.421 1.00152.53 C ATOM 93 CB PHE 243 -5.244 14.925 58.086 1.00152.53 C ATOM 94 CG PHE 243 -5.787 14.054 57.003 1.00152.53 C ATOM 95 CD1 PHE 243 -6.972 14.374 56.381 1.00152.53 C ATOM 96 CD2 PHE 243 -5.115 12.915 56.619 1.00152.53 C ATOM 97 CE1 PHE 243 -7.476 13.579 55.377 1.00152.53 C ATOM 98 CE2 PHE 243 -5.615 12.117 55.615 1.00152.53 C ATOM 99 CZ PHE 243 -6.797 12.446 54.995 1.00152.53 C ATOM 100 C PHE 243 -5.157 15.292 60.491 1.00152.53 C ATOM 101 O PHE 243 -5.585 16.349 60.953 1.00152.53 O ATOM 102 N SER 244 -4.009 14.724 60.923 1.00 40.89 N ATOM 103 CA SER 244 -3.161 15.304 61.929 1.00 40.89 C ATOM 104 CB SER 244 -2.106 14.322 62.470 1.00 40.89 C ATOM 105 OG SER 244 -1.173 14.010 61.447 1.00 40.89 O ATOM 106 C SER 244 -2.433 16.493 61.371 1.00 40.89 C ATOM 107 O SER 244 -2.157 17.438 62.108 1.00 40.89 O ATOM 108 N GLN 245 -2.094 16.488 60.061 1.00 79.29 N ATOM 109 CA GLN 245 -1.349 17.607 59.546 1.00 79.29 C ATOM 110 CB GLN 245 0.073 17.290 59.049 1.00 79.29 C ATOM 111 CG GLN 245 1.045 16.798 60.120 1.00 79.29 C ATOM 112 CD GLN 245 0.929 15.290 60.153 1.00 79.29 C ATOM 113 OE1 GLN 245 0.276 14.694 59.297 1.00 79.29 O ATOM 114 NE2 GLN 245 1.565 14.659 61.175 1.00 79.29 N ATOM 115 C GLN 245 -2.038 18.187 58.355 1.00 79.29 C ATOM 116 O GLN 245 -2.730 17.496 57.609 1.00 79.29 O ATOM 117 N SER 246 -1.832 19.507 58.158 1.00 63.02 N ATOM 118 CA SER 246 -2.422 20.242 57.077 1.00 63.02 C ATOM 119 CB SER 246 -2.151 21.752 57.174 1.00 63.02 C ATOM 120 OG SER 246 -2.763 22.436 56.091 1.00 63.02 O ATOM 121 C SER 246 -1.838 19.753 55.796 1.00 63.02 C ATOM 122 O SER 246 -2.524 19.675 54.777 1.00 63.02 O ATOM 123 N SER 247 -0.544 19.385 55.826 1.00 66.95 N ATOM 124 CA SER 247 0.140 18.978 54.638 1.00 66.95 C ATOM 125 CB SER 247 1.599 18.587 54.924 1.00 66.95 C ATOM 126 OG SER 247 2.256 19.646 55.604 1.00 66.95 O ATOM 127 C SER 247 -0.535 17.768 54.082 1.00 66.95 C ATOM 128 O SER 247 -0.790 17.692 52.882 1.00 66.95 O ATOM 129 N SER 248 -0.851 16.792 54.952 1.00 29.92 N ATOM 130 CA SER 248 -1.434 15.563 54.501 1.00 29.92 C ATOM 131 CB SER 248 -1.574 14.520 55.616 1.00 29.92 C ATOM 132 OG SER 248 -0.289 14.100 56.048 1.00 29.92 O ATOM 133 C SER 248 -2.800 15.813 53.963 1.00 29.92 C ATOM 134 O SER 248 -3.188 15.235 52.949 1.00 29.92 O ATOM 135 N LEU 249 -3.572 16.688 54.626 1.00105.57 N ATOM 136 CA LEU 249 -4.912 16.892 54.173 1.00105.57 C ATOM 137 CB LEU 249 -5.692 17.865 55.082 1.00105.57 C ATOM 138 CG LEU 249 -7.227 17.868 54.893 1.00105.57 C ATOM 139 CD1 LEU 249 -7.883 18.963 55.745 1.00105.57 C ATOM 140 CD2 LEU 249 -7.664 17.934 53.425 1.00105.57 C ATOM 141 C LEU 249 -4.820 17.480 52.799 1.00105.57 C ATOM 142 O LEU 249 -5.558 17.092 51.896 1.00105.57 O ATOM 143 N ASN 250 -3.857 18.399 52.601 1.00 76.76 N ATOM 144 CA ASN 250 -3.694 19.112 51.364 1.00 76.76 C ATOM 145 CB ASN 250 -2.432 19.999 51.411 1.00 76.76 C ATOM 146 CG ASN 250 -2.262 20.746 50.100 1.00 76.76 C ATOM 147 OD1 ASN 250 -1.999 20.140 49.061 1.00 76.76 O ATOM 148 ND2 ASN 250 -2.407 22.097 50.150 1.00 76.76 N ATOM 149 C ASN 250 -3.539 18.118 50.259 1.00 76.76 C ATOM 150 O ASN 250 -4.184 18.236 49.217 1.00 76.76 O ATOM 151 N HIS 251 -2.694 17.095 50.467 1.00 65.07 N ATOM 152 CA HIS 251 -2.479 16.108 49.451 1.00 65.07 C ATOM 153 ND1 HIS 251 0.741 16.185 48.744 1.00 65.07 N ATOM 154 CG HIS 251 -0.017 15.861 49.846 1.00 65.07 C ATOM 155 CB HIS 251 -1.331 15.138 49.782 1.00 65.07 C ATOM 156 NE2 HIS 251 1.822 16.989 50.513 1.00 65.07 N ATOM 157 CD2 HIS 251 0.659 16.358 50.918 1.00 65.07 C ATOM 158 CE1 HIS 251 1.829 16.859 49.200 1.00 65.07 C ATOM 159 C HIS 251 -3.740 15.329 49.247 1.00 65.07 C ATOM 160 O HIS 251 -4.070 14.960 48.121 1.00 65.07 O ATOM 161 N HIS 252 -4.482 15.056 50.338 1.00 43.55 N ATOM 162 CA HIS 252 -5.676 14.269 50.235 1.00 43.55 C ATOM 163 ND1 HIS 252 -7.383 11.680 51.325 1.00 43.55 N ATOM 164 CG HIS 252 -7.514 13.045 51.438 1.00 43.55 C ATOM 165 CB HIS 252 -6.352 13.981 51.585 1.00 43.55 C ATOM 166 NE2 HIS 252 -9.561 12.119 51.240 1.00 43.55 N ATOM 167 CD2 HIS 252 -8.851 13.296 51.383 1.00 43.55 C ATOM 168 CE1 HIS 252 -8.637 11.176 51.210 1.00 43.55 C ATOM 169 C HIS 252 -6.665 14.989 49.381 1.00 43.55 C ATOM 170 O HIS 252 -7.313 14.378 48.533 1.00 43.55 O ATOM 171 N MET 253 -6.819 16.312 49.577 1.00 50.04 N ATOM 172 CA MET 253 -7.753 17.004 48.739 1.00 50.04 C ATOM 173 CB MET 253 -7.857 18.519 48.986 1.00 50.04 C ATOM 174 CG MET 253 -8.682 18.915 50.210 1.00 50.04 C ATOM 175 SD MET 253 -8.866 20.711 50.428 1.00 50.04 S ATOM 176 CE MET 253 -10.419 20.598 51.361 1.00 50.04 C ATOM 177 C MET 253 -7.326 16.834 47.286 1.00 50.04 C ATOM 178 O MET 253 -8.131 17.238 46.404 1.00 50.04 O ATOM 179 OXT MET 253 -6.208 16.315 47.029 1.00 50.04 O