EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:51 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.2908 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1343.88721 REMARK 6 GA341 score: 0.81520 REMARK 6 Normalized DOPE score: 0.07421 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 47.8% ATOM 1 N GLU 259 -22.745 22.481 41.109 1.00 39.97 N ATOM 2 CA GLU 259 -22.725 21.650 42.334 1.00 39.97 C ATOM 3 CB GLU 259 -22.226 20.236 42.007 1.00 39.97 C ATOM 4 CG GLU 259 -22.073 19.356 43.243 1.00 39.97 C ATOM 5 CD GLU 259 -21.349 18.095 42.818 1.00 39.97 C ATOM 6 OE1 GLU 259 -21.264 17.830 41.587 1.00 39.97 O ATOM 7 OE2 GLU 259 -20.865 17.378 43.728 1.00 39.97 O ATOM 8 C GLU 259 -21.788 22.214 43.349 1.00 39.97 C ATOM 9 O GLU 259 -20.607 21.868 43.365 1.00 39.97 O ATOM 10 N LYS 260 -22.289 23.117 44.214 1.00113.67 N ATOM 11 CA LYS 260 -21.442 23.660 45.234 1.00113.67 C ATOM 12 CB LYS 260 -21.348 25.190 45.159 1.00113.67 C ATOM 13 CG LYS 260 -20.564 25.639 43.928 1.00113.67 C ATOM 14 CD LYS 260 -21.227 25.224 42.613 1.00113.67 C ATOM 15 CE LYS 260 -20.372 25.513 41.378 1.00113.67 C ATOM 16 NZ LYS 260 -19.297 24.503 41.259 1.00113.67 N ATOM 17 C LYS 260 -22.059 23.293 46.541 1.00113.67 C ATOM 18 O LYS 260 -22.969 23.958 47.033 1.00113.67 O ATOM 19 N PRO 261 -21.563 22.211 47.078 1.00111.44 N ATOM 20 CA PRO 261 -22.052 21.683 48.325 1.00111.44 C ATOM 21 CD PRO 261 -21.026 21.166 46.218 1.00111.44 C ATOM 22 CB PRO 261 -21.507 20.257 48.410 1.00111.44 C ATOM 23 CG PRO 261 -21.307 19.842 46.944 1.00111.44 C ATOM 24 C PRO 261 -21.773 22.469 49.577 1.00111.44 C ATOM 25 O PRO 261 -22.573 22.369 50.504 1.00111.44 O ATOM 26 N PHE 262 -20.670 23.239 49.658 1.00 67.59 N ATOM 27 CA PHE 262 -20.358 23.893 50.903 1.00 67.59 C ATOM 28 CB PHE 262 -18.884 23.759 51.326 1.00 67.59 C ATOM 29 CG PHE 262 -18.703 22.427 51.964 1.00 67.59 C ATOM 30 CD1 PHE 262 -18.892 22.296 53.321 1.00 67.59 C ATOM 31 CD2 PHE 262 -18.352 21.318 51.231 1.00 67.59 C ATOM 32 CE1 PHE 262 -18.734 21.081 53.941 1.00 67.59 C ATOM 33 CE2 PHE 262 -18.194 20.101 51.847 1.00 67.59 C ATOM 34 CZ PHE 262 -18.382 19.979 53.203 1.00 67.59 C ATOM 35 C PHE 262 -20.667 25.353 50.831 1.00 67.59 C ATOM 36 O PHE 262 -20.201 26.063 49.943 1.00 67.59 O ATOM 37 N THR 263 -21.459 25.840 51.810 1.00 98.74 N ATOM 38 CA THR 263 -21.831 27.223 51.828 1.00 98.74 C ATOM 39 CB THR 263 -23.315 27.436 51.927 1.00 98.74 C ATOM 40 OG1 THR 263 -23.625 28.815 51.788 1.00 98.74 O ATOM 41 CG2 THR 263 -23.802 26.923 53.293 1.00 98.74 C ATOM 42 C THR 263 -21.213 27.857 53.031 1.00 98.74 C ATOM 43 O THR 263 -21.197 27.273 54.115 1.00 98.74 O ATOM 44 N CYS 264 -20.648 29.067 52.849 1.00 41.31 N ATOM 45 CA CYS 264 -20.064 29.784 53.948 1.00 41.31 C ATOM 46 CB CYS 264 -19.035 30.842 53.519 1.00 41.31 C ATOM 47 SG CYS 264 -18.318 31.741 54.927 1.00 41.31 S ATOM 48 C CYS 264 -21.163 30.473 54.691 1.00 41.31 C ATOM 49 O CYS 264 -22.020 31.131 54.100 1.00 41.31 O ATOM 50 N THR 265 -21.164 30.350 56.030 1.00107.00 N ATOM 51 CA THR 265 -22.235 30.933 56.780 1.00107.00 C ATOM 52 CB THR 265 -22.226 30.549 58.231 1.00107.00 C ATOM 53 OG1 THR 265 -23.429 30.981 58.857 1.00107.00 O ATOM 54 CG2 THR 265 -20.995 31.185 58.903 1.00107.00 C ATOM 55 C THR 265 -22.190 32.426 56.691 1.00107.00 C ATOM 56 O THR 265 -23.235 33.069 56.585 1.00107.00 O ATOM 57 N GLN 266 -20.984 33.026 56.771 1.00135.51 N ATOM 58 CA GLN 266 -20.937 34.460 56.791 1.00135.51 C ATOM 59 CB GLN 266 -19.528 34.988 57.101 1.00135.51 C ATOM 60 CG GLN 266 -19.122 34.821 58.566 1.00135.51 C ATOM 61 CD GLN 266 -19.901 35.857 59.369 1.00135.51 C ATOM 62 OE1 GLN 266 -20.463 36.801 58.815 1.00135.51 O ATOM 63 NE2 GLN 266 -19.940 35.685 60.716 1.00135.51 N ATOM 64 C GLN 266 -21.351 35.093 55.493 1.00135.51 C ATOM 65 O GLN 266 -22.318 35.856 55.457 1.00135.51 O ATOM 66 N CYS 267 -20.615 34.794 54.400 1.00 62.61 N ATOM 67 CA CYS 267 -20.845 35.399 53.110 1.00 62.61 C ATOM 68 CB CYS 267 -19.632 35.267 52.171 1.00 62.61 C ATOM 69 SG CYS 267 -19.180 33.537 51.857 1.00 62.61 S ATOM 70 C CYS 267 -22.047 34.828 52.413 1.00 62.61 C ATOM 71 O CYS 267 -22.831 35.563 51.814 1.00 62.61 O ATOM 72 N GLY 268 -22.232 33.494 52.476 1.00 29.20 N ATOM 73 CA GLY 268 -23.325 32.868 51.782 1.00 29.20 C ATOM 74 C GLY 268 -22.825 32.282 50.494 1.00 29.20 C ATOM 75 O GLY 268 -23.586 31.658 49.756 1.00 29.20 O ATOM 76 N LYS 269 -21.524 32.457 50.185 1.00 82.18 N ATOM 77 CA LYS 269 -20.975 31.924 48.968 1.00 82.18 C ATOM 78 CB LYS 269 -19.574 32.458 48.631 1.00 82.18 C ATOM 79 CG LYS 269 -19.017 31.870 47.332 1.00 82.18 C ATOM 80 CD LYS 269 -17.782 32.605 46.811 1.00 82.18 C ATOM 81 CE LYS 269 -17.134 31.958 45.583 1.00 82.18 C ATOM 82 NZ LYS 269 -17.992 32.125 44.387 1.00 82.18 N ATOM 83 C LYS 269 -20.864 30.434 49.071 1.00 82.18 C ATOM 84 O LYS 269 -20.599 29.888 50.143 1.00 82.18 O ATOM 85 N SER 270 -21.062 29.734 47.933 1.00 57.76 N ATOM 86 CA SER 270 -20.994 28.295 47.918 1.00 57.76 C ATOM 87 CB SER 270 -22.157 27.615 47.173 1.00 57.76 C ATOM 88 OG SER 270 -23.388 27.845 47.844 1.00 57.76 O ATOM 89 C SER 270 -19.740 27.891 47.201 1.00 57.76 C ATOM 90 O SER 270 -19.264 28.591 46.310 1.00 57.76 O ATOM 91 N PHE 271 -19.177 26.725 47.590 1.00138.23 N ATOM 92 CA PHE 271 -17.928 26.276 47.034 1.00138.23 C ATOM 93 CB PHE 271 -16.788 26.259 48.068 1.00138.23 C ATOM 94 CG PHE 271 -16.496 27.675 48.420 1.00138.23 C ATOM 95 CD1 PHE 271 -17.237 28.319 49.384 1.00138.23 C ATOM 96 CD2 PHE 271 -15.494 28.363 47.774 1.00138.23 C ATOM 97 CE1 PHE 271 -16.976 29.629 49.706 1.00138.23 C ATOM 98 CE2 PHE 271 -15.229 29.672 48.094 1.00138.23 C ATOM 99 CZ PHE 271 -15.971 30.308 49.061 1.00138.23 C ATOM 100 C PHE 271 -18.051 24.873 46.548 1.00138.23 C ATOM 101 O PHE 271 -18.773 24.045 47.102 1.00138.23 O ATOM 102 N ILE 272 -17.322 24.594 45.455 1.00 85.11 N ATOM 103 CA ILE 272 -17.245 23.306 44.852 1.00 85.11 C ATOM 104 CB ILE 272 -16.518 23.357 43.541 1.00 85.11 C ATOM 105 CG1 ILE 272 -16.725 22.058 42.754 1.00 85.11 C ATOM 106 CG2 ILE 272 -15.048 23.717 43.803 1.00 85.11 C ATOM 107 CD1 ILE 272 -16.283 22.185 41.299 1.00 85.11 C ATOM 108 C ILE 272 -16.525 22.387 45.794 1.00 85.11 C ATOM 109 O ILE 272 -16.901 21.225 45.937 1.00 85.11 O ATOM 110 N GLN 273 -15.464 22.886 46.465 1.00 42.39 N ATOM 111 CA GLN 273 -14.692 22.019 47.310 1.00 42.39 C ATOM 112 CB GLN 273 -13.250 21.805 46.823 1.00 42.39 C ATOM 113 CG GLN 273 -13.160 21.059 45.492 1.00 42.39 C ATOM 114 CD GLN 273 -11.687 20.772 45.234 1.00 42.39 C ATOM 115 OE1 GLN 273 -10.813 21.240 45.961 1.00 42.39 O ATOM 116 NE2 GLN 273 -11.400 19.970 44.176 1.00 42.39 N ATOM 117 C GLN 273 -14.607 22.557 48.705 1.00 42.39 C ATOM 118 O GLN 273 -14.650 23.761 48.954 1.00 42.39 O ATOM 119 N SER 274 -14.471 21.619 49.661 1.00 73.50 N ATOM 120 CA SER 274 -14.385 21.898 51.063 1.00 73.50 C ATOM 121 CB SER 274 -14.263 20.613 51.898 1.00 73.50 C ATOM 122 OG SER 274 -14.100 20.933 53.271 1.00 73.50 O ATOM 123 C SER 274 -13.161 22.711 51.350 1.00 73.50 C ATOM 124 O SER 274 -13.217 23.675 52.114 1.00 73.50 O ATOM 125 N SER 275 -12.018 22.350 50.741 1.00 63.65 N ATOM 126 CA SER 275 -10.792 23.030 51.046 1.00 63.65 C ATOM 127 CB SER 275 -9.577 22.451 50.295 1.00 63.65 C ATOM 128 OG SER 275 -8.407 23.179 50.640 1.00 63.65 O ATOM 129 C SER 275 -10.910 24.473 50.676 1.00 63.65 C ATOM 130 O SER 275 -10.450 25.344 51.410 1.00 63.65 O ATOM 131 N SER 276 -11.542 24.761 49.526 1.00 62.15 N ATOM 132 CA SER 276 -11.645 26.116 49.070 1.00 62.15 C ATOM 133 CB SER 276 -12.319 26.216 47.689 1.00 62.15 C ATOM 134 OG SER 276 -12.435 27.573 47.286 1.00 62.15 O ATOM 135 C SER 276 -12.466 26.870 50.063 1.00 62.15 C ATOM 136 O SER 276 -12.171 28.017 50.394 1.00 62.15 O ATOM 137 N PHE 277 -13.515 26.215 50.584 1.00103.52 N ATOM 138 CA PHE 277 -14.391 26.801 51.553 1.00103.52 C ATOM 139 CB PHE 277 -15.486 25.799 51.956 1.00103.52 C ATOM 140 CG PHE 277 -16.215 26.314 53.145 1.00103.52 C ATOM 141 CD1 PHE 277 -15.776 26.000 54.411 1.00103.52 C ATOM 142 CD2 PHE 277 -17.337 27.095 53.001 1.00103.52 C ATOM 143 CE1 PHE 277 -16.439 26.467 55.519 1.00103.52 C ATOM 144 CE2 PHE 277 -18.005 27.565 54.106 1.00103.52 C ATOM 145 CZ PHE 277 -17.558 27.247 55.365 1.00103.52 C ATOM 146 C PHE 277 -13.604 27.146 52.780 1.00103.52 C ATOM 147 O PHE 277 -13.697 28.256 53.300 1.00103.52 O ATOM 148 N ASN 278 -12.771 26.202 53.255 1.00 77.30 N ATOM 149 CA ASN 278 -12.075 26.378 54.499 1.00 77.30 C ATOM 150 CB ASN 278 -11.176 25.186 54.859 1.00 77.30 C ATOM 151 CG ASN 278 -10.511 25.509 56.189 1.00 77.30 C ATOM 152 OD1 ASN 278 -11.135 26.067 57.091 1.00 77.30 O ATOM 153 ND2 ASN 278 -9.202 25.164 56.313 1.00 77.30 N ATOM 154 C ASN 278 -11.195 27.577 54.439 1.00 77.30 C ATOM 155 O ASN 278 -11.192 28.392 55.361 1.00 77.30 O ATOM 156 N VAL 279 -10.424 27.734 53.353 1.00 85.12 N ATOM 157 CA VAL 279 -9.560 28.874 53.318 1.00 85.12 C ATOM 158 CB VAL 279 -8.636 28.906 52.138 1.00 85.12 C ATOM 159 CG1 VAL 279 -7.663 27.721 52.263 1.00 85.12 C ATOM 160 CG2 VAL 279 -9.463 28.909 50.841 1.00 85.12 C ATOM 161 C VAL 279 -10.416 30.094 53.301 1.00 85.12 C ATOM 162 O VAL 279 -10.092 31.103 53.926 1.00 85.12 O ATOM 163 N HIS 280 -11.559 30.015 52.600 1.00 45.63 N ATOM 164 CA HIS 280 -12.412 31.155 52.471 1.00 45.63 C ATOM 165 ND1 HIS 280 -14.445 32.966 50.521 1.00 45.63 N ATOM 166 CG HIS 280 -14.582 32.029 51.519 1.00 45.63 C ATOM 167 CB HIS 280 -13.692 30.837 51.687 1.00 45.63 C ATOM 168 NE2 HIS 280 -16.178 33.604 51.757 1.00 45.63 N ATOM 169 CD2 HIS 280 -15.647 32.435 52.265 1.00 45.63 C ATOM 170 CE1 HIS 280 -15.423 33.886 50.709 1.00 45.63 C ATOM 171 C HIS 280 -12.840 31.620 53.824 1.00 45.63 C ATOM 172 O HIS 280 -12.722 32.803 54.139 1.00 45.63 O ATOM 173 N MET 281 -13.341 30.704 54.675 1.00 67.25 N ATOM 174 CA MET 281 -13.780 31.146 55.966 1.00 67.25 C ATOM 175 CB MET 281 -14.534 30.078 56.782 1.00 67.25 C ATOM 176 CG MET 281 -14.991 30.573 58.159 1.00 67.25 C ATOM 177 SD MET 281 -16.159 29.471 59.009 1.00 67.25 S ATOM 178 CE MET 281 -17.617 30.116 58.140 1.00 67.25 C ATOM 179 C MET 281 -12.550 31.552 56.754 1.00 67.25 C ATOM 180 O MET 281 -11.750 30.642 57.088 1.00 67.25 O ATOM 181 OXT MET 281 -12.394 32.768 57.040 1.00 67.25 O