EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:30 REMARK 6 MODELLER OBJECTIVE FUNCTION: 101.3224 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1577.49756 REMARK 6 GA341 score: 0.98695 REMARK 6 Normalized DOPE score: -1.29761 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 56.0% ATOM 1 N GLU 259 -12.447 19.960 46.801 1.00 58.76 N ATOM 2 CA GLU 259 -13.624 19.562 47.603 1.00 58.76 C ATOM 3 CB GLU 259 -14.573 18.701 46.755 1.00 58.76 C ATOM 4 CG GLU 259 -13.933 17.409 46.247 1.00 58.76 C ATOM 5 CD GLU 259 -14.916 16.759 45.287 1.00 58.76 C ATOM 6 OE1 GLU 259 -15.283 17.429 44.284 1.00 58.76 O ATOM 7 OE2 GLU 259 -15.318 15.593 45.542 1.00 58.76 O ATOM 8 C GLU 259 -13.205 18.786 48.806 1.00 58.76 C ATOM 9 O GLU 259 -12.142 18.167 48.824 1.00 58.76 O ATOM 10 N LYS 260 -14.034 18.823 49.867 1.00 84.74 N ATOM 11 CA LYS 260 -13.677 18.108 51.055 1.00 84.74 C ATOM 12 CB LYS 260 -13.721 18.986 52.315 1.00 84.74 C ATOM 13 CG LYS 260 -12.779 20.186 52.231 1.00 84.74 C ATOM 14 CD LYS 260 -13.227 21.222 51.198 1.00 84.74 C ATOM 15 CE LYS 260 -12.300 22.433 51.086 1.00 84.74 C ATOM 16 NZ LYS 260 -12.852 23.392 50.105 1.00 84.74 N ATOM 17 C LYS 260 -14.689 17.027 51.232 1.00 84.74 C ATOM 18 O LYS 260 -15.832 17.263 51.620 1.00 84.74 O ATOM 19 N PRO 261 -14.265 15.840 50.926 1.00114.40 N ATOM 20 CA PRO 261 -15.121 14.691 51.008 1.00114.40 C ATOM 21 CD PRO 261 -13.213 15.666 49.941 1.00114.40 C ATOM 22 CB PRO 261 -14.459 13.608 50.147 1.00114.40 C ATOM 23 CG PRO 261 -13.048 14.144 49.844 1.00114.40 C ATOM 24 C PRO 261 -15.456 14.231 52.392 1.00114.40 C ATOM 25 O PRO 261 -16.432 13.497 52.537 1.00114.40 O ATOM 26 N PHE 262 -14.680 14.614 53.423 1.00 56.20 N ATOM 27 CA PHE 262 -14.973 14.072 54.722 1.00 56.20 C ATOM 28 CB PHE 262 -13.719 13.627 55.491 1.00 56.20 C ATOM 29 CG PHE 262 -13.156 12.453 54.769 1.00 56.20 C ATOM 30 CD1 PHE 262 -13.647 11.195 55.019 1.00 56.20 C ATOM 31 CD2 PHE 262 -12.148 12.607 53.846 1.00 56.20 C ATOM 32 CE1 PHE 262 -13.142 10.101 54.361 1.00 56.20 C ATOM 33 CE2 PHE 262 -11.637 11.515 53.183 1.00 56.20 C ATOM 34 CZ PHE 262 -12.134 10.259 53.441 1.00 56.20 C ATOM 35 C PHE 262 -15.653 15.106 55.562 1.00 56.20 C ATOM 36 O PHE 262 -15.086 16.158 55.852 1.00 56.20 O ATOM 37 N THR 263 -16.889 14.804 56.010 1.00101.73 N ATOM 38 CA THR 263 -17.620 15.753 56.799 1.00101.73 C ATOM 39 CB THR 263 -18.988 16.044 56.255 1.00101.73 C ATOM 40 OG1 THR 263 -19.771 14.860 56.243 1.00101.73 O ATOM 41 CG2 THR 263 -18.845 16.593 54.828 1.00101.73 C ATOM 42 C THR 263 -17.803 15.182 58.168 1.00101.73 C ATOM 43 O THR 263 -18.056 13.989 58.327 1.00101.73 O ATOM 44 N CYS 264 -17.645 16.028 59.207 1.00 93.46 N ATOM 45 CA CYS 264 -17.831 15.554 60.550 1.00 93.46 C ATOM 46 CB CYS 264 -17.097 16.379 61.625 1.00 93.46 C ATOM 47 SG CYS 264 -17.739 18.065 61.790 1.00 93.46 S ATOM 48 C CYS 264 -19.295 15.575 60.858 1.00 93.46 C ATOM 49 O CYS 264 -20.005 16.529 60.544 1.00 93.46 O ATOM 50 N VAL 265 -19.785 14.502 61.501 1.00 96.01 N ATOM 51 CA VAL 265 -21.182 14.402 61.796 1.00 96.01 C ATOM 52 CB VAL 265 -21.568 13.080 62.393 1.00 96.01 C ATOM 53 CG1 VAL 265 -20.825 12.892 63.728 1.00 96.01 C ATOM 54 CG2 VAL 265 -23.101 13.051 62.533 1.00 96.01 C ATOM 55 C VAL 265 -21.599 15.464 62.767 1.00 96.01 C ATOM 56 O VAL 265 -22.679 16.038 62.630 1.00 96.01 O ATOM 57 N GLU 266 -20.782 15.726 63.806 1.00124.62 N ATOM 58 CA GLU 266 -21.241 16.651 64.805 1.00124.62 C ATOM 59 CB GLU 266 -20.356 16.661 66.069 1.00124.62 C ATOM 60 CG GLU 266 -18.886 17.041 65.840 1.00124.62 C ATOM 61 CD GLU 266 -18.085 15.769 65.598 1.00124.62 C ATOM 62 OE1 GLU 266 -18.720 14.688 65.474 1.00124.62 O ATOM 63 OE2 GLU 266 -16.829 15.858 65.543 1.00124.62 O ATOM 64 C GLU 266 -21.339 18.072 64.319 1.00124.62 C ATOM 65 O GLU 266 -22.418 18.665 64.334 1.00124.62 O ATOM 66 N CYS 267 -20.193 18.652 63.904 1.00101.40 N ATOM 67 CA CYS 267 -20.062 20.025 63.477 1.00101.40 C ATOM 68 CB CYS 267 -18.593 20.482 63.492 1.00101.40 C ATOM 69 SG CYS 267 -18.385 22.185 62.903 1.00101.40 S ATOM 70 C CYS 267 -20.593 20.266 62.096 1.00101.40 C ATOM 71 O CYS 267 -21.243 21.276 61.835 1.00101.40 O ATOM 72 N GLY 268 -20.321 19.338 61.164 1.00 26.11 N ATOM 73 CA GLY 268 -20.733 19.533 59.808 1.00 26.11 C ATOM 74 C GLY 268 -19.588 20.113 59.030 1.00 26.11 C ATOM 75 O GLY 268 -19.727 20.395 57.841 1.00 26.11 O ATOM 76 N LYS 269 -18.420 20.305 59.676 1.00 59.47 N ATOM 77 CA LYS 269 -17.283 20.856 58.989 1.00 59.47 C ATOM 78 CB LYS 269 -16.207 21.395 59.945 1.00 59.47 C ATOM 79 CG LYS 269 -15.074 22.148 59.246 1.00 59.47 C ATOM 80 CD LYS 269 -14.236 22.985 60.215 1.00 59.47 C ATOM 81 CE LYS 269 -13.101 23.767 59.552 1.00 59.47 C ATOM 82 NZ LYS 269 -12.506 24.709 60.526 1.00 59.47 N ATOM 83 C LYS 269 -16.679 19.798 58.110 1.00 59.47 C ATOM 84 O LYS 269 -16.654 18.620 58.464 1.00 59.47 O ATOM 85 N SER 270 -16.159 20.209 56.930 1.00 52.99 N ATOM 86 CA SER 270 -15.637 19.257 55.984 1.00 52.99 C ATOM 87 CB SER 270 -16.204 19.441 54.564 1.00 52.99 C ATOM 88 OG SER 270 -17.608 19.236 54.567 1.00 52.99 O ATOM 89 C SER 270 -14.148 19.409 55.877 1.00 52.99 C ATOM 90 O SER 270 -13.604 20.491 56.093 1.00 52.99 O ATOM 91 N PHE 271 -13.448 18.301 55.533 1.00145.48 N ATOM 92 CA PHE 271 -12.011 18.315 55.436 1.00145.48 C ATOM 93 CB PHE 271 -11.325 17.568 56.595 1.00145.48 C ATOM 94 CG PHE 271 -11.591 18.320 57.856 1.00145.48 C ATOM 95 CD1 PHE 271 -12.760 18.123 58.555 1.00145.48 C ATOM 96 CD2 PHE 271 -10.681 19.233 58.336 1.00145.48 C ATOM 97 CE1 PHE 271 -13.013 18.818 59.714 1.00145.48 C ATOM 98 CE2 PHE 271 -10.926 19.930 59.496 1.00145.48 C ATOM 99 CZ PHE 271 -12.095 19.723 60.189 1.00145.48 C ATOM 100 C PHE 271 -11.589 17.619 54.174 1.00145.48 C ATOM 101 O PHE 271 -12.266 16.723 53.673 1.00145.48 O ATOM 102 N ASN 272 -10.444 18.052 53.611 1.00 45.27 N ATOM 103 CA ASN 272 -9.896 17.451 52.431 1.00 45.27 C ATOM 104 CB ASN 272 -8.787 18.284 51.754 1.00 45.27 C ATOM 105 CG ASN 272 -7.579 18.401 52.674 1.00 45.27 C ATOM 106 OD1 ASN 272 -7.694 18.282 53.892 1.00 45.27 O ATOM 107 ND2 ASN 272 -6.382 18.653 52.078 1.00 45.27 N ATOM 108 C ASN 272 -9.340 16.099 52.764 1.00 45.27 C ATOM 109 O ASN 272 -9.343 15.200 51.923 1.00 45.27 O ATOM 110 N CYS 273 -8.820 15.920 53.998 1.00 35.49 N ATOM 111 CA CYS 273 -8.179 14.671 54.309 1.00 35.49 C ATOM 112 CB CYS 273 -6.702 14.834 54.706 1.00 35.49 C ATOM 113 SG CYS 273 -5.693 15.512 53.356 1.00 35.49 S ATOM 114 C CYS 273 -8.859 13.984 55.453 1.00 35.49 C ATOM 115 O CYS 273 -9.342 14.617 56.391 1.00 35.49 O ATOM 116 N SER 274 -8.888 12.637 55.388 1.00 68.81 N ATOM 117 CA SER 274 -9.508 11.798 56.372 1.00 68.81 C ATOM 118 CB SER 274 -9.499 10.313 55.973 1.00 68.81 C ATOM 119 OG SER 274 -10.123 9.532 56.982 1.00 68.81 O ATOM 120 C SER 274 -8.786 11.909 57.678 1.00 68.81 C ATOM 121 O SER 274 -9.414 11.951 58.734 1.00 68.81 O ATOM 122 N SER 275 -7.442 11.966 57.648 1.00 66.01 N ATOM 123 CA SER 275 -6.688 11.990 58.868 1.00 66.01 C ATOM 124 CB SER 275 -5.168 11.976 58.640 1.00 66.01 C ATOM 125 OG SER 275 -4.784 10.752 58.032 1.00 66.01 O ATOM 126 C SER 275 -7.013 13.233 59.630 1.00 66.01 C ATOM 127 O SER 275 -7.112 13.210 60.856 1.00 66.01 O ATOM 128 N ASN 276 -7.184 14.359 58.915 1.00 30.64 N ATOM 129 CA ASN 276 -7.469 15.602 59.566 1.00 30.64 C ATOM 130 CB ASN 276 -7.462 16.798 58.599 1.00 30.64 C ATOM 131 CG ASN 276 -6.014 17.037 58.200 1.00 30.64 C ATOM 132 OD1 ASN 276 -5.117 17.026 59.042 1.00 30.64 O ATOM 133 ND2 ASN 276 -5.773 17.250 56.878 1.00 30.64 N ATOM 134 C ASN 276 -8.816 15.523 60.210 1.00 30.64 C ATOM 135 O ASN 276 -9.014 16.032 61.312 1.00 30.64 O ATOM 136 N LEU 277 -9.789 14.884 59.536 1.00104.38 N ATOM 137 CA LEU 277 -11.116 14.801 60.077 1.00104.38 C ATOM 138 CB LEU 277 -12.099 14.131 59.095 1.00104.38 C ATOM 139 CG LEU 277 -13.564 14.037 59.576 1.00104.38 C ATOM 140 CD1 LEU 277 -13.757 13.001 60.694 1.00104.38 C ATOM 141 CD2 LEU 277 -14.106 15.424 59.956 1.00104.38 C ATOM 142 C LEU 277 -11.063 14.003 61.343 1.00104.38 C ATOM 143 O LEU 277 -11.707 14.342 62.336 1.00104.38 O ATOM 144 N ASP 278 -10.260 12.924 61.352 1.00 33.47 N ATOM 145 CA ASP 278 -10.188 12.059 62.494 1.00 33.47 C ATOM 146 CB ASP 278 -9.226 10.883 62.276 1.00 33.47 C ATOM 147 CG ASP 278 -9.855 9.977 61.230 1.00 33.47 C ATOM 148 OD1 ASP 278 -11.112 9.893 61.202 1.00 33.47 O ATOM 149 OD2 ASP 278 -9.088 9.365 60.439 1.00 33.47 O ATOM 150 C ASP 278 -9.694 12.833 63.673 1.00 33.47 C ATOM 151 O ASP 278 -10.199 12.667 64.782 1.00 33.47 O ATOM 152 N LYS 279 -8.691 13.705 63.469 1.00101.11 N ATOM 153 CA LYS 279 -8.162 14.460 64.567 1.00101.11 C ATOM 154 CB LYS 279 -6.975 15.353 64.165 1.00101.11 C ATOM 155 CG LYS 279 -5.793 14.570 63.590 1.00101.11 C ATOM 156 CD LYS 279 -5.219 13.531 64.552 1.00101.11 C ATOM 157 CE LYS 279 -4.135 12.650 63.925 1.00101.11 C ATOM 158 NZ LYS 279 -4.708 11.857 62.815 1.00101.11 N ATOM 159 C LYS 279 -9.251 15.356 65.069 1.00101.11 C ATOM 160 O LYS 279 -9.413 15.543 66.274 1.00101.11 O ATOM 161 N HIS 280 -10.039 15.922 64.137 1.00 51.14 N ATOM 162 CA HIS 280 -11.090 16.839 64.476 1.00 51.14 C ATOM 163 ND1 HIS 280 -12.709 19.678 63.849 1.00 51.14 N ATOM 164 CG HIS 280 -12.916 18.361 63.501 1.00 51.14 C ATOM 165 CB HIS 280 -11.823 17.367 63.225 1.00 51.14 C ATOM 166 NE2 HIS 280 -14.912 19.390 63.755 1.00 51.14 N ATOM 167 CD2 HIS 280 -14.269 18.203 63.448 1.00 51.14 C ATOM 168 CE1 HIS 280 -13.935 20.246 63.987 1.00 51.14 C ATOM 169 C HIS 280 -12.093 16.133 65.331 1.00 51.14 C ATOM 170 O HIS 280 -12.544 16.670 66.342 1.00 51.14 O ATOM 171 N MET 281 -12.435 14.887 64.967 1.00 99.74 N ATOM 172 CA MET 281 -13.446 14.146 65.661 1.00 99.74 C ATOM 173 CB MET 281 -13.672 12.767 65.017 1.00 99.74 C ATOM 174 CG MET 281 -14.849 11.988 65.606 1.00 99.74 C ATOM 175 SD MET 281 -15.139 10.370 64.831 1.00 99.74 S ATOM 176 CE MET 281 -16.715 10.094 65.692 1.00 99.74 C ATOM 177 C MET 281 -13.030 13.945 67.089 1.00 99.74 C ATOM 178 O MET 281 -13.846 14.047 68.005 1.00 99.74 O ATOM 179 N ARG 282 -11.735 13.674 67.322 1.00 69.37 N ATOM 180 CA ARG 282 -11.280 13.412 68.656 1.00 69.37 C ATOM 181 CB ARG 282 -9.759 13.202 68.725 1.00 69.37 C ATOM 182 CG ARG 282 -9.298 11.868 68.141 1.00 69.37 C ATOM 183 CD ARG 282 -7.787 11.784 67.917 1.00 69.37 C ATOM 184 NE ARG 282 -7.459 10.358 67.653 1.00 69.37 N ATOM 185 CZ ARG 282 -6.800 9.633 68.602 1.00 69.37 C ATOM 186 NH1 ARG 282 -6.409 10.234 69.764 1.00 69.37 N ATOM 187 NH2 ARG 282 -6.531 8.310 68.390 1.00 69.37 N ATOM 188 C ARG 282 -11.590 14.598 69.503 1.00 69.37 C ATOM 189 O ARG 282 -12.119 14.462 70.606 1.00 69.37 O ATOM 190 N ASN 283 -11.288 15.805 69.000 1.00 13.65 N ATOM 191 CA ASN 283 -11.524 16.977 69.785 1.00 13.65 C ATOM 192 CB ASN 283 -11.151 18.272 69.043 1.00 13.65 C ATOM 193 CG ASN 283 -9.635 18.290 68.865 1.00 13.65 C ATOM 194 OD1 ASN 283 -8.897 17.736 69.678 1.00 13.65 O ATOM 195 ND2 ASN 283 -9.152 18.944 67.775 1.00 13.65 N ATOM 196 C ASN 283 -13.006 17.022 70.135 1.00 13.65 C ATOM 197 O ASN 283 -13.327 16.963 71.352 1.00 13.65 O ATOM 198 OXT ASN 283 -13.837 17.117 69.192 1.00 13.65 O