EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:14 REMARK 6 MODELLER OBJECTIVE FUNCTION: 119.4178 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 62.500 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1376.98926 REMARK 6 GA341 score: 0.99342 REMARK 6 Normalized DOPE score: -0.56798 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 62.5% ATOM 1 N GLU 230 -6.983 34.702 47.917 1.00 84.87 N ATOM 2 CA GLU 230 -5.717 34.153 47.374 1.00 84.87 C ATOM 3 CB GLU 230 -4.563 35.132 47.649 1.00 84.87 C ATOM 4 CG GLU 230 -3.377 34.984 46.686 1.00 84.87 C ATOM 5 CD GLU 230 -2.658 33.666 46.938 1.00 84.87 C ATOM 6 OE1 GLU 230 -3.153 32.618 46.442 1.00 84.87 O ATOM 7 OE2 GLU 230 -1.596 33.692 47.616 1.00 84.87 O ATOM 8 C GLU 230 -5.440 32.848 48.054 1.00 84.87 C ATOM 9 O GLU 230 -5.869 31.794 47.588 1.00 84.87 O ATOM 10 N LYS 231 -4.691 32.886 49.175 1.00158.93 N ATOM 11 CA LYS 231 -4.448 31.694 49.937 1.00158.93 C ATOM 12 CB LYS 231 -2.943 31.423 50.122 1.00158.93 C ATOM 13 CG LYS 231 -2.103 32.704 50.124 1.00158.93 C ATOM 14 CD LYS 231 -2.412 33.676 51.262 1.00158.93 C ATOM 15 CE LYS 231 -1.824 35.070 51.037 1.00158.93 C ATOM 16 NZ LYS 231 -2.673 35.813 50.079 1.00158.93 N ATOM 17 C LYS 231 -5.105 31.883 51.271 1.00158.93 C ATOM 18 O LYS 231 -4.474 32.142 52.292 1.00158.93 O ATOM 19 N PRO 232 -6.399 31.734 51.230 1.00127.61 N ATOM 20 CA PRO 232 -7.293 31.932 52.337 1.00127.61 C ATOM 21 CD PRO 232 -7.067 31.177 50.067 1.00127.61 C ATOM 22 CB PRO 232 -8.691 31.850 51.730 1.00127.61 C ATOM 23 CG PRO 232 -8.503 30.899 50.535 1.00127.61 C ATOM 24 C PRO 232 -7.153 30.965 53.471 1.00127.61 C ATOM 25 O PRO 232 -7.538 31.322 54.583 1.00127.61 O ATOM 26 N PHE 233 -6.631 29.747 53.238 1.00 68.96 N ATOM 27 CA PHE 233 -6.660 28.769 54.290 1.00 68.96 C ATOM 28 CB PHE 233 -6.829 27.335 53.763 1.00 68.96 C ATOM 29 CG PHE 233 -8.063 27.292 52.930 1.00 68.96 C ATOM 30 CD1 PHE 233 -9.304 27.189 53.511 1.00 68.96 C ATOM 31 CD2 PHE 233 -7.969 27.345 51.557 1.00 68.96 C ATOM 32 CE1 PHE 233 -10.436 27.146 52.732 1.00 68.96 C ATOM 33 CE2 PHE 233 -9.098 27.304 50.774 1.00 68.96 C ATOM 34 CZ PHE 233 -10.335 27.205 51.363 1.00 68.96 C ATOM 35 C PHE 233 -5.343 28.766 54.995 1.00 68.96 C ATOM 36 O PHE 233 -4.315 28.490 54.381 1.00 68.96 O ATOM 37 N LYS 234 -5.333 29.040 56.318 1.00151.72 N ATOM 38 CA LYS 234 -4.074 29.018 57.010 1.00151.72 C ATOM 39 CB LYS 234 -3.715 30.325 57.746 1.00151.72 C ATOM 40 CG LYS 234 -4.654 30.693 58.894 1.00151.72 C ATOM 41 CD LYS 234 -6.101 30.921 58.458 1.00151.72 C ATOM 42 CE LYS 234 -6.953 31.598 59.534 1.00151.72 C ATOM 43 NZ LYS 234 -6.901 30.822 60.791 1.00151.72 N ATOM 44 C LYS 234 -4.087 27.918 58.023 1.00151.72 C ATOM 45 O LYS 234 -5.098 27.658 58.676 1.00151.72 O ATOM 46 N CYS 235 -2.941 27.219 58.148 1.00 50.41 N ATOM 47 CA CYS 235 -2.777 26.159 59.100 1.00 50.41 C ATOM 48 CB CYS 235 -1.517 25.309 58.828 1.00 50.41 C ATOM 49 SG CYS 235 -1.276 23.954 60.016 1.00 50.41 S ATOM 50 C CYS 235 -2.626 26.793 60.444 1.00 50.41 C ATOM 51 O CYS 235 -1.821 27.703 60.625 1.00 50.41 O ATOM 52 N LEU 236 -3.404 26.320 61.432 1.00 42.99 N ATOM 53 CA LEU 236 -3.343 26.884 62.748 1.00 42.99 C ATOM 54 CB LEU 236 -4.418 26.314 63.686 1.00 42.99 C ATOM 55 CG LEU 236 -5.853 26.637 63.227 1.00 42.99 C ATOM 56 CD1 LEU 236 -6.890 26.119 64.236 1.00 42.99 C ATOM 57 CD2 LEU 236 -6.020 28.132 62.904 1.00 42.99 C ATOM 58 C LEU 236 -2.003 26.603 63.355 1.00 42.99 C ATOM 59 O LEU 236 -1.444 27.447 64.055 1.00 42.99 O ATOM 60 N LYS 237 -1.475 25.380 63.144 1.00117.84 N ATOM 61 CA LYS 237 -0.232 25.025 63.768 1.00117.84 C ATOM 62 CB LYS 237 0.127 23.549 63.518 1.00117.84 C ATOM 63 CG LYS 237 1.434 23.092 64.174 1.00117.84 C ATOM 64 CD LYS 237 1.766 21.616 63.923 1.00117.84 C ATOM 65 CE LYS 237 0.804 20.628 64.593 1.00117.84 C ATOM 66 NZ LYS 237 0.914 20.747 66.060 1.00117.84 N ATOM 67 C LYS 237 0.927 25.833 63.247 1.00117.84 C ATOM 68 O LYS 237 1.526 26.626 63.973 1.00117.84 O ATOM 69 N CYS 238 1.254 25.613 61.956 1.00104.98 N ATOM 70 CA CYS 238 2.368 26.162 61.219 1.00104.98 C ATOM 71 CB CYS 238 2.595 25.350 59.935 1.00104.98 C ATOM 72 SG CYS 238 3.916 26.010 58.887 1.00104.98 S ATOM 73 C CYS 238 2.193 27.602 60.828 1.00104.98 C ATOM 74 O CYS 238 3.132 28.391 60.923 1.00104.98 O ATOM 75 N GLY 239 0.987 27.985 60.365 1.00 27.65 N ATOM 76 CA GLY 239 0.778 29.329 59.905 1.00 27.65 C ATOM 77 C GLY 239 0.917 29.375 58.408 1.00 27.65 C ATOM 78 O GLY 239 0.789 30.442 57.809 1.00 27.65 O ATOM 79 N LYS 240 1.185 28.224 57.758 1.00 93.63 N ATOM 80 CA LYS 240 1.335 28.203 56.323 1.00 93.63 C ATOM 81 CB LYS 240 2.019 26.924 55.819 1.00 93.63 C ATOM 82 CG LYS 240 2.489 27.004 54.370 1.00 93.63 C ATOM 83 CD LYS 240 3.524 25.928 54.037 1.00 93.63 C ATOM 84 CE LYS 240 4.851 26.134 54.765 1.00 93.63 C ATOM 85 NZ LYS 240 5.748 24.978 54.544 1.00 93.63 N ATOM 86 C LYS 240 -0.021 28.312 55.686 1.00 93.63 C ATOM 87 O LYS 240 -1.003 27.782 56.205 1.00 93.63 O ATOM 88 N SER 241 -0.111 28.998 54.520 1.00 57.50 N ATOM 89 CA SER 241 -1.395 29.219 53.902 1.00 57.50 C ATOM 90 CB SER 241 -1.695 30.700 53.615 1.00 57.50 C ATOM 91 OG SER 241 -1.810 31.421 54.833 1.00 57.50 O ATOM 92 C SER 241 -1.488 28.479 52.600 1.00 57.50 C ATOM 93 O SER 241 -0.488 28.247 51.923 1.00 57.50 O ATOM 94 N PHE 242 -2.726 28.078 52.221 1.00149.98 N ATOM 95 CA PHE 242 -2.931 27.312 51.017 1.00149.98 C ATOM 96 CB PHE 242 -3.219 25.822 51.301 1.00149.98 C ATOM 97 CG PHE 242 -2.017 25.222 51.960 1.00149.98 C ATOM 98 CD1 PHE 242 -1.866 25.293 53.327 1.00149.98 C ATOM 99 CD2 PHE 242 -1.036 24.593 51.223 1.00149.98 C ATOM 100 CE1 PHE 242 -0.763 24.751 53.949 1.00149.98 C ATOM 101 CE2 PHE 242 0.068 24.047 51.840 1.00149.98 C ATOM 102 CZ PHE 242 0.207 24.124 53.205 1.00149.98 C ATOM 103 C PHE 242 -4.114 27.857 50.269 1.00149.98 C ATOM 104 O PHE 242 -5.010 28.479 50.837 1.00149.98 O ATOM 105 N SER 243 -4.117 27.647 48.937 1.00 39.47 N ATOM 106 CA SER 243 -5.170 28.106 48.075 1.00 39.47 C ATOM 107 CB SER 243 -4.805 28.025 46.585 1.00 39.47 C ATOM 108 OG SER 243 -4.641 26.670 46.193 1.00 39.47 O ATOM 109 C SER 243 -6.409 27.279 48.272 1.00 39.47 C ATOM 110 O SER 243 -7.517 27.766 48.041 1.00 39.47 O ATOM 111 N GLN 244 -6.270 26.005 48.692 1.00 46.07 N ATOM 112 CA GLN 244 -7.453 25.191 48.774 1.00 46.07 C ATOM 113 CB GLN 244 -7.475 24.066 47.730 1.00 46.07 C ATOM 114 CG GLN 244 -7.477 24.587 46.292 1.00 46.07 C ATOM 115 CD GLN 244 -7.452 23.382 45.369 1.00 46.07 C ATOM 116 OE1 GLN 244 -8.484 22.952 44.859 1.00 46.07 O ATOM 117 NE2 GLN 244 -6.237 22.808 45.158 1.00 46.07 N ATOM 118 C GLN 244 -7.555 24.546 50.122 1.00 46.07 C ATOM 119 O GLN 244 -6.555 24.212 50.755 1.00 46.07 O ATOM 120 N SER 245 -8.809 24.348 50.583 1.00 69.32 N ATOM 121 CA SER 245 -9.092 23.766 51.863 1.00 69.32 C ATOM 122 CB SER 245 -10.597 23.744 52.192 1.00 69.32 C ATOM 123 OG SER 245 -11.288 22.914 51.270 1.00 69.32 O ATOM 124 C SER 245 -8.616 22.349 51.876 1.00 69.32 C ATOM 125 O SER 245 -8.055 21.882 52.865 1.00 69.32 O ATOM 126 N SER 246 -8.818 21.625 50.761 1.00 66.47 N ATOM 127 CA SER 246 -8.459 20.238 50.713 1.00 66.47 C ATOM 128 CB SER 246 -8.861 19.565 49.390 1.00 66.47 C ATOM 129 OG SER 246 -10.277 19.530 49.277 1.00 66.47 O ATOM 130 C SER 246 -6.979 20.100 50.872 1.00 66.47 C ATOM 131 O SER 246 -6.506 19.175 51.531 1.00 66.47 O ATOM 132 N SER 247 -6.207 21.025 50.273 1.00 64.11 N ATOM 133 CA SER 247 -4.775 20.961 50.333 1.00 64.11 C ATOM 134 CB SER 247 -4.103 22.032 49.453 1.00 64.11 C ATOM 135 OG SER 247 -2.690 21.933 49.545 1.00 64.11 O ATOM 136 C SER 247 -4.335 21.179 51.752 1.00 64.11 C ATOM 137 O SER 247 -3.406 20.526 52.227 1.00 64.11 O ATOM 138 N LEU 248 -4.999 22.104 52.469 1.00107.13 N ATOM 139 CA LEU 248 -4.637 22.389 53.827 1.00107.13 C ATOM 140 CB LEU 248 -5.453 23.552 54.425 1.00107.13 C ATOM 141 CG LEU 248 -5.120 23.911 55.891 1.00107.13 C ATOM 142 CD1 LEU 248 -5.698 22.889 56.884 1.00107.13 C ATOM 143 CD2 LEU 248 -3.611 24.119 56.082 1.00107.13 C ATOM 144 C LEU 248 -4.877 21.161 54.645 1.00107.13 C ATOM 145 O LEU 248 -4.087 20.826 55.525 1.00107.13 O ATOM 146 N ASN 249 -5.971 20.439 54.348 1.00 79.74 N ATOM 147 CA ASN 249 -6.334 19.277 55.108 1.00 79.74 C ATOM 148 CB ASN 249 -7.608 18.607 54.567 1.00 79.74 C ATOM 149 CG ASN 249 -8.003 17.467 55.491 1.00 79.74 C ATOM 150 OD1 ASN 249 -8.927 17.596 56.293 1.00 79.74 O ATOM 151 ND2 ASN 249 -7.289 16.314 55.376 1.00 79.74 N ATOM 152 C ASN 249 -5.218 18.279 55.040 1.00 79.74 C ATOM 153 O ASN 249 -4.845 17.689 56.054 1.00 79.74 O ATOM 154 N GLN 250 -4.643 18.069 53.842 1.00 66.53 N ATOM 155 CA GLN 250 -3.583 17.108 53.699 1.00 66.53 C ATOM 156 CB GLN 250 -3.108 16.950 52.245 1.00 66.53 C ATOM 157 CG GLN 250 -1.875 16.055 52.094 1.00 66.53 C ATOM 158 CD GLN 250 -2.215 14.668 52.614 1.00 66.53 C ATOM 159 OE1 GLN 250 -3.314 14.429 53.113 1.00 66.53 O ATOM 160 NE2 GLN 250 -1.234 13.731 52.513 1.00 66.53 N ATOM 161 C GLN 250 -2.415 17.559 54.515 1.00 66.53 C ATOM 162 O GLN 250 -1.778 16.761 55.202 1.00 66.53 O ATOM 163 N HIS 251 -2.125 18.870 54.475 1.00 83.11 N ATOM 164 CA HIS 251 -1.010 19.416 55.191 1.00 83.11 C ATOM 165 ND1 HIS 251 0.249 22.208 56.839 1.00 83.11 N ATOM 166 CG HIS 251 0.312 21.572 55.625 1.00 83.11 C ATOM 167 CB HIS 251 -0.865 20.929 54.948 1.00 83.11 C ATOM 168 NE2 HIS 251 2.348 22.390 56.140 1.00 83.11 N ATOM 169 CD2 HIS 251 1.602 21.689 55.210 1.00 83.11 C ATOM 170 CE1 HIS 251 1.497 22.683 57.099 1.00 83.11 C ATOM 171 C HIS 251 -1.227 19.190 56.655 1.00 83.11 C ATOM 172 O HIS 251 -0.300 18.834 57.381 1.00 83.11 O ATOM 173 N MET 252 -2.477 19.360 57.118 1.00139.79 N ATOM 174 CA MET 252 -2.805 19.232 58.509 1.00139.79 C ATOM 175 CB MET 252 -4.312 19.411 58.758 1.00139.79 C ATOM 176 CG MET 252 -4.711 19.401 60.233 1.00139.79 C ATOM 177 SD MET 252 -4.210 20.893 61.144 1.00139.79 S ATOM 178 CE MET 252 -2.457 20.429 61.238 1.00139.79 C ATOM 179 C MET 252 -2.449 17.849 58.945 1.00139.79 C ATOM 180 O MET 252 -1.855 17.651 60.005 1.00139.79 O ATOM 181 N ARG 253 -2.796 16.841 58.126 1.00 73.79 N ATOM 182 CA ARG 253 -2.479 15.494 58.496 1.00 73.79 C ATOM 183 CB ARG 253 -3.284 14.447 57.709 1.00 73.79 C ATOM 184 CG ARG 253 -4.772 14.464 58.042 1.00 73.79 C ATOM 185 CD ARG 253 -5.574 13.416 57.270 1.00 73.79 C ATOM 186 NE ARG 253 -5.484 13.774 55.829 1.00 73.79 N ATOM 187 CZ ARG 253 -5.779 12.846 54.874 1.00 73.79 C ATOM 188 NH1 ARG 253 -6.177 11.591 55.237 1.00 73.79 N ATOM 189 NH2 ARG 253 -5.673 13.176 53.554 1.00 73.79 N ATOM 190 C ARG 253 -1.006 15.280 58.179 1.00 73.79 C ATOM 191 O ARG 253 -0.510 14.141 58.400 1.00 73.79 O ATOM 192 OXT ARG 253 -0.361 16.255 57.712 1.00 73.79 O