EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:33 REMARK 6 MODELLER OBJECTIVE FUNCTION: 123.6788 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 44.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1674.58447 REMARK 6 GA341 score: 0.89293 REMARK 6 Normalized DOPE score: -0.72463 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 44.0% ATOM 1 N ASP 231 -15.649 21.110 39.078 1.00 31.22 N ATOM 2 CA ASP 231 -15.465 22.541 39.398 1.00 31.22 C ATOM 3 CB ASP 231 -16.833 23.235 39.531 1.00 31.22 C ATOM 4 CG ASP 231 -17.548 23.224 38.184 1.00 31.22 C ATOM 5 OD1 ASP 231 -16.854 23.218 37.133 1.00 31.22 O ATOM 6 OD2 ASP 231 -18.808 23.218 38.193 1.00 31.22 O ATOM 7 C ASP 231 -14.774 22.629 40.716 1.00 31.22 C ATOM 8 O ASP 231 -14.369 21.614 41.279 1.00 31.22 O ATOM 9 N LYS 232 -14.583 23.855 41.236 1.00 98.04 N ATOM 10 CA LYS 232 -14.005 23.949 42.539 1.00 98.04 C ATOM 11 CB LYS 232 -12.930 25.042 42.667 1.00 98.04 C ATOM 12 CG LYS 232 -11.831 24.980 41.604 1.00 98.04 C ATOM 13 CD LYS 232 -12.314 25.461 40.234 1.00 98.04 C ATOM 14 CE LYS 232 -11.215 25.569 39.176 1.00 98.04 C ATOM 15 NZ LYS 232 -11.805 26.002 37.890 1.00 98.04 N ATOM 16 C LYS 232 -15.137 24.383 43.408 1.00 98.04 C ATOM 17 O LYS 232 -15.520 25.552 43.423 1.00 98.04 O ATOM 18 N PRO 233 -15.687 23.449 44.121 1.00112.28 N ATOM 19 CA PRO 233 -16.820 23.687 44.965 1.00112.28 C ATOM 20 CD PRO 233 -15.504 22.044 43.822 1.00112.28 C ATOM 21 CB PRO 233 -17.360 22.310 45.349 1.00112.28 C ATOM 22 CG PRO 233 -16.234 21.329 44.969 1.00112.28 C ATOM 23 C PRO 233 -16.541 24.549 46.149 1.00112.28 C ATOM 24 O PRO 233 -17.475 25.166 46.658 1.00112.28 O ATOM 25 N PHE 234 -15.287 24.616 46.623 1.00 56.26 N ATOM 26 CA PHE 234 -15.092 25.390 47.810 1.00 56.26 C ATOM 27 CB PHE 234 -14.159 24.721 48.836 1.00 56.26 C ATOM 28 CG PHE 234 -14.829 23.464 49.276 1.00 56.26 C ATOM 29 CD1 PHE 234 -15.871 23.509 50.173 1.00 56.26 C ATOM 30 CD2 PHE 234 -14.415 22.240 48.800 1.00 56.26 C ATOM 31 CE1 PHE 234 -16.493 22.355 50.583 1.00 56.26 C ATOM 32 CE2 PHE 234 -15.034 21.082 49.208 1.00 56.26 C ATOM 33 CZ PHE 234 -16.075 21.137 50.102 1.00 56.26 C ATOM 34 C PHE 234 -14.496 26.701 47.432 1.00 56.26 C ATOM 35 O PHE 234 -13.405 26.760 46.869 1.00 56.26 O ATOM 36 N THR 235 -15.203 27.800 47.759 1.00100.49 N ATOM 37 CA THR 235 -14.716 29.106 47.432 1.00100.49 C ATOM 38 CB THR 235 -15.705 29.916 46.643 1.00100.49 C ATOM 39 OG1 THR 235 -16.889 30.112 47.401 1.00100.49 O ATOM 40 CG2 THR 235 -16.035 29.169 45.342 1.00100.49 C ATOM 41 C THR 235 -14.482 29.838 48.714 1.00100.49 C ATOM 42 O THR 235 -15.275 29.743 49.649 1.00100.49 O ATOM 43 N CYS 236 -13.353 30.574 48.794 1.00 96.33 N ATOM 44 CA CYS 236 -13.075 31.331 49.981 1.00 96.33 C ATOM 45 CB CYS 236 -11.581 31.604 50.224 1.00 96.33 C ATOM 46 SG CYS 236 -10.834 32.660 48.955 1.00 96.33 S ATOM 47 C CYS 236 -13.776 32.643 49.838 1.00 96.33 C ATOM 48 O CYS 236 -13.707 33.297 48.800 1.00 96.33 O ATOM 49 N THR 237 -14.477 33.077 50.895 1.00111.98 N ATOM 50 CA THR 237 -15.228 34.293 50.779 1.00111.98 C ATOM 51 CB THR 237 -16.144 34.541 51.938 1.00111.98 C ATOM 52 OG1 THR 237 -17.021 35.617 51.645 1.00111.98 O ATOM 53 CG2 THR 237 -15.292 34.872 53.171 1.00111.98 C ATOM 54 C THR 237 -14.333 35.486 50.630 1.00111.98 C ATOM 55 O THR 237 -14.652 36.406 49.877 1.00111.98 O ATOM 56 N GLN 238 -13.204 35.536 51.369 1.00108.79 N ATOM 57 CA GLN 238 -12.397 36.725 51.315 1.00108.79 C ATOM 58 CB GLN 238 -11.265 36.710 52.359 1.00108.79 C ATOM 59 CG GLN 238 -11.750 36.887 53.805 1.00108.79 C ATOM 60 CD GLN 238 -12.084 38.355 54.016 1.00108.79 C ATOM 61 OE1 GLN 238 -13.157 38.697 54.514 1.00108.79 O ATOM 62 NE2 GLN 238 -11.140 39.251 53.617 1.00108.79 N ATOM 63 C GLN 238 -11.742 36.942 49.976 1.00108.79 C ATOM 64 O GLN 238 -11.952 37.971 49.335 1.00108.79 O ATOM 65 N CYS 239 -10.911 35.976 49.539 1.00104.62 N ATOM 66 CA CYS 239 -10.169 36.039 48.304 1.00104.62 C ATOM 67 CB CYS 239 -9.003 35.035 48.299 1.00104.62 C ATOM 68 SG CYS 239 -8.059 35.054 46.750 1.00104.62 S ATOM 69 C CYS 239 -11.039 35.742 47.122 1.00104.62 C ATOM 70 O CYS 239 -10.896 36.332 46.052 1.00104.62 O ATOM 71 N ARG 240 -11.995 34.821 47.323 1.00147.58 N ATOM 72 CA ARG 240 -12.870 34.232 46.351 1.00147.58 C ATOM 73 CB ARG 240 -13.707 35.217 45.531 1.00147.58 C ATOM 74 CG ARG 240 -14.898 34.472 44.939 1.00147.58 C ATOM 75 CD ARG 240 -16.054 35.335 44.447 1.00147.58 C ATOM 76 NE ARG 240 -17.237 34.425 44.408 1.00147.58 N ATOM 77 CZ ARG 240 -18.445 34.862 43.952 1.00147.58 C ATOM 78 NH1 ARG 240 -18.559 36.099 43.389 1.00147.58 N ATOM 79 NH2 ARG 240 -19.540 34.054 44.059 1.00147.58 N ATOM 80 C ARG 240 -12.124 33.300 45.437 1.00147.58 C ATOM 81 O ARG 240 -12.562 33.021 44.321 1.00147.58 O ATOM 82 N LYS 241 -10.978 32.765 45.902 1.00 70.86 N ATOM 83 CA LYS 241 -10.283 31.768 45.140 1.00 70.86 C ATOM 84 CB LYS 241 -8.809 31.613 45.560 1.00 70.86 C ATOM 85 CG LYS 241 -7.953 30.859 44.543 1.00 70.86 C ATOM 86 CD LYS 241 -6.447 31.100 44.697 1.00 70.86 C ATOM 87 CE LYS 241 -5.614 30.425 43.604 1.00 70.86 C ATOM 88 NZ LYS 241 -4.231 30.954 43.615 1.00 70.86 N ATOM 89 C LYS 241 -11.014 30.479 45.395 1.00 70.86 C ATOM 90 O LYS 241 -11.564 30.281 46.478 1.00 70.86 O ATOM 91 N SER 242 -11.062 29.565 44.398 1.00 54.23 N ATOM 92 CA SER 242 -11.816 28.351 44.587 1.00 54.23 C ATOM 93 CB SER 242 -12.858 28.087 43.486 1.00 54.23 C ATOM 94 OG SER 242 -13.872 29.082 43.522 1.00 54.23 O ATOM 95 C SER 242 -10.881 27.180 44.611 1.00 54.23 C ATOM 96 O SER 242 -9.810 27.216 44.008 1.00 54.23 O ATOM 97 N PHE 243 -11.279 26.102 45.324 1.00146.68 N ATOM 98 CA PHE 243 -10.426 24.954 45.473 1.00146.68 C ATOM 99 CB PHE 243 -9.839 24.829 46.892 1.00146.68 C ATOM 100 CG PHE 243 -8.918 25.976 47.133 1.00146.68 C ATOM 101 CD1 PHE 243 -9.405 27.187 47.577 1.00146.68 C ATOM 102 CD2 PHE 243 -7.568 25.841 46.905 1.00146.68 C ATOM 103 CE1 PHE 243 -8.555 28.244 47.798 1.00146.68 C ATOM 104 CE2 PHE 243 -6.713 26.896 47.126 1.00146.68 C ATOM 105 CZ PHE 243 -7.207 28.099 47.575 1.00146.68 C ATOM 106 C PHE 243 -11.224 23.708 45.245 1.00146.68 C ATOM 107 O PHE 243 -12.425 23.656 45.503 1.00146.68 O ATOM 108 N SER 244 -10.553 22.663 44.718 1.00 81.37 N ATOM 109 CA SER 244 -11.171 21.392 44.480 1.00 81.37 C ATOM 110 CB SER 244 -10.296 20.453 43.631 1.00 81.37 C ATOM 111 OG SER 244 -10.174 20.967 42.313 1.00 81.37 O ATOM 112 C SER 244 -11.414 20.706 45.790 1.00 81.37 C ATOM 113 O SER 244 -12.390 19.969 45.932 1.00 81.37 O ATOM 114 N ASN 245 -10.532 20.937 46.786 1.00 39.61 N ATOM 115 CA ASN 245 -10.648 20.216 48.024 1.00 39.61 C ATOM 116 CB ASN 245 -9.377 19.430 48.392 1.00 39.61 C ATOM 117 CG ASN 245 -9.204 18.276 47.419 1.00 39.61 C ATOM 118 OD1 ASN 245 -10.175 17.686 46.949 1.00 39.61 O ATOM 119 ND2 ASN 245 -7.924 17.937 47.105 1.00 39.61 N ATOM 120 C ASN 245 -10.899 21.162 49.164 1.00 39.61 C ATOM 121 O ASN 245 -10.362 22.267 49.222 1.00 39.61 O ATOM 122 N SER 246 -11.734 20.705 50.119 1.00 69.17 N ATOM 123 CA SER 246 -12.127 21.442 51.288 1.00 69.17 C ATOM 124 CB SER 246 -13.171 20.687 52.126 1.00 69.17 C ATOM 125 OG SER 246 -13.503 21.435 53.286 1.00 69.17 O ATOM 126 C SER 246 -10.947 21.684 52.179 1.00 69.17 C ATOM 127 O SER 246 -10.801 22.768 52.743 1.00 69.17 O ATOM 128 N SER 247 -10.074 20.672 52.340 1.00 68.15 N ATOM 129 CA SER 247 -8.955 20.819 53.226 1.00 68.15 C ATOM 130 CB SER 247 -8.145 19.525 53.420 1.00 68.15 C ATOM 131 OG SER 247 -8.894 18.587 54.180 1.00 68.15 O ATOM 132 C SER 247 -8.029 21.863 52.693 1.00 68.15 C ATOM 133 O SER 247 -7.435 22.615 53.463 1.00 68.15 O ATOM 134 N SER 248 -7.872 21.935 51.358 1.00 65.82 N ATOM 135 CA SER 248 -6.971 22.906 50.808 1.00 65.82 C ATOM 136 CB SER 248 -6.787 22.773 49.288 1.00 65.82 C ATOM 137 OG SER 248 -7.994 23.101 48.614 1.00 65.82 O ATOM 138 C SER 248 -7.528 24.268 51.076 1.00 65.82 C ATOM 139 O SER 248 -6.785 25.216 51.323 1.00 65.82 O ATOM 140 N LEU 249 -8.866 24.394 51.041 1.00109.96 N ATOM 141 CA LEU 249 -9.515 25.653 51.260 1.00109.96 C ATOM 142 CB LEU 249 -11.037 25.515 51.065 1.00109.96 C ATOM 143 CG LEU 249 -11.857 26.800 51.272 1.00109.96 C ATOM 144 CD1 LEU 249 -11.949 27.186 52.756 1.00109.96 C ATOM 145 CD2 LEU 249 -11.328 27.944 50.395 1.00109.96 C ATOM 146 C LEU 249 -9.208 26.095 52.657 1.00109.96 C ATOM 147 O LEU 249 -8.879 27.255 52.897 1.00109.96 O ATOM 148 N TYR 250 -9.252 25.160 53.621 1.00140.21 N ATOM 149 CA TYR 250 -9.020 25.513 54.989 1.00140.21 C ATOM 150 CB TYR 250 -9.148 24.319 55.953 1.00140.21 C ATOM 151 CG TYR 250 -8.662 24.776 57.287 1.00140.21 C ATOM 152 CD1 TYR 250 -9.463 25.524 58.118 1.00140.21 C ATOM 153 CD2 TYR 250 -7.393 24.450 57.707 1.00140.21 C ATOM 154 CE1 TYR 250 -9.003 25.941 59.346 1.00140.21 C ATOM 155 CE2 TYR 250 -6.928 24.863 58.934 1.00140.21 C ATOM 156 CZ TYR 250 -7.733 25.613 59.758 1.00140.21 C ATOM 157 OH TYR 250 -7.259 26.041 61.017 1.00140.21 O ATOM 158 C TYR 250 -7.638 26.065 55.136 1.00140.21 C ATOM 159 O TYR 250 -7.439 27.087 55.791 1.00140.21 O ATOM 160 N ARG 251 -6.645 25.406 54.514 1.00125.93 N ATOM 161 CA ARG 251 -5.281 25.827 54.649 1.00125.93 C ATOM 162 CB ARG 251 -4.296 24.854 53.971 1.00125.93 C ATOM 163 CG ARG 251 -2.818 25.168 54.227 1.00125.93 C ATOM 164 CD ARG 251 -1.908 23.933 54.194 1.00125.93 C ATOM 165 NE ARG 251 -1.424 23.691 52.805 1.00125.93 N ATOM 166 CZ ARG 251 -0.455 22.749 52.607 1.00125.93 C ATOM 167 NH1 ARG 251 0.034 22.043 53.670 1.00125.93 N ATOM 168 NH2 ARG 251 0.040 22.511 51.357 1.00125.93 N ATOM 169 C ARG 251 -5.138 27.190 54.054 1.00125.93 C ATOM 170 O ARG 251 -4.431 28.042 54.588 1.00125.93 O ATOM 171 N HIS 252 -5.824 27.441 52.928 1.00 49.54 N ATOM 172 CA HIS 252 -5.726 28.704 52.259 1.00 49.54 C ATOM 173 ND1 HIS 252 -5.497 30.518 49.479 1.00 49.54 N ATOM 174 CG HIS 252 -6.534 30.046 50.257 1.00 49.54 C ATOM 175 CB HIS 252 -6.546 28.720 50.958 1.00 49.54 C ATOM 176 NE2 HIS 252 -7.083 32.076 49.434 1.00 49.54 N ATOM 177 CD2 HIS 252 -7.493 31.012 50.218 1.00 49.54 C ATOM 178 CE1 HIS 252 -5.879 31.733 49.014 1.00 49.54 C ATOM 179 C HIS 252 -6.243 29.793 53.146 1.00 49.54 C ATOM 180 O HIS 252 -5.610 30.837 53.293 1.00 49.54 O ATOM 181 N MET 253 -7.405 29.573 53.785 1.00105.74 N ATOM 182 CA MET 253 -7.996 30.594 54.602 1.00105.74 C ATOM 183 CB MET 253 -9.369 30.199 55.179 1.00105.74 C ATOM 184 CG MET 253 -10.528 30.297 54.182 1.00105.74 C ATOM 185 SD MET 253 -10.957 32.001 53.708 1.00105.74 S ATOM 186 CE MET 253 -12.642 31.612 53.152 1.00105.74 C ATOM 187 C MET 253 -7.101 30.914 55.753 1.00105.74 C ATOM 188 O MET 253 -6.966 32.077 56.132 1.00105.74 O ATOM 189 N ARG 254 -6.446 29.891 56.329 1.00134.73 N ATOM 190 CA ARG 254 -5.693 30.097 57.528 1.00134.73 C ATOM 191 CB ARG 254 -4.991 28.813 57.998 1.00134.73 C ATOM 192 CG ARG 254 -4.563 28.841 59.469 1.00134.73 C ATOM 193 CD ARG 254 -3.853 27.568 59.939 1.00134.73 C ATOM 194 NE ARG 254 -2.412 27.897 60.134 1.00134.73 N ATOM 195 CZ ARG 254 -1.607 27.048 60.836 1.00134.73 C ATOM 196 NH1 ARG 254 -2.091 25.847 61.269 1.00134.73 N ATOM 197 NH2 ARG 254 -0.319 27.403 61.119 1.00134.73 N ATOM 198 C ARG 254 -4.644 31.129 57.285 1.00134.73 C ATOM 199 O ARG 254 -4.500 32.062 58.072 1.00134.73 O ATOM 200 N ILE 255 -3.895 31.027 56.173 1.00105.41 N ATOM 201 CA ILE 255 -2.860 32.000 55.997 1.00105.41 C ATOM 202 CB ILE 255 -1.799 31.601 55.010 1.00105.41 C ATOM 203 CG1 ILE 255 -0.611 32.574 55.086 1.00105.41 C ATOM 204 CG2 ILE 255 -2.439 31.496 53.619 1.00105.41 C ATOM 205 CD1 ILE 255 0.164 32.491 56.403 1.00105.41 C ATOM 206 C ILE 255 -3.462 33.322 55.542 1.00105.41 C ATOM 207 O ILE 255 -2.740 34.348 55.656 1.00105.41 O ATOM 208 OXT ILE 255 -4.638 33.333 55.086 1.00105.41 O