EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:40 REMARK 6 MODELLER OBJECTIVE FUNCTION: 98.4821 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.091 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1100.96948 REMARK 6 GA341 score: 0.97936 REMARK 6 Normalized DOPE score: -1.07705 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 59.1% ATOM 1 N GLU 259 8.165 18.321 40.977 1.00 59.55 N ATOM 2 CA GLU 259 6.973 18.637 40.165 1.00 59.55 C ATOM 3 CB GLU 259 6.670 17.498 39.182 1.00 59.55 C ATOM 4 CG GLU 259 6.437 16.149 39.855 1.00 59.55 C ATOM 5 CD GLU 259 5.992 15.186 38.766 1.00 59.55 C ATOM 6 OE1 GLU 259 6.809 14.908 37.847 1.00 59.55 O ATOM 7 OE2 GLU 259 4.819 14.730 38.828 1.00 59.55 O ATOM 8 C GLU 259 5.780 18.868 41.034 1.00 59.55 C ATOM 9 O GLU 259 5.919 19.219 42.204 1.00 59.55 O ATOM 10 N LYS 260 4.566 18.695 40.477 1.00 55.42 N ATOM 11 CA LYS 260 3.402 18.966 41.275 1.00 55.42 C ATOM 12 CB LYS 260 2.537 20.074 40.653 1.00 55.42 C ATOM 13 CG LYS 260 3.299 21.399 40.579 1.00 55.42 C ATOM 14 CD LYS 260 2.721 22.425 39.603 1.00 55.42 C ATOM 15 CE LYS 260 3.569 23.697 39.498 1.00 55.42 C ATOM 16 NZ LYS 260 2.977 24.632 38.515 1.00 55.42 N ATOM 17 C LYS 260 2.587 17.713 41.366 1.00 55.42 C ATOM 18 O LYS 260 1.856 17.345 40.446 1.00 55.42 O ATOM 19 N PRO 261 2.730 17.047 42.479 1.00116.26 N ATOM 20 CA PRO 261 2.035 15.814 42.744 1.00116.26 C ATOM 21 CD PRO 261 3.973 17.130 43.228 1.00116.26 C ATOM 22 CB PRO 261 2.835 15.090 43.829 1.00116.26 C ATOM 23 CG PRO 261 3.777 16.161 44.402 1.00116.26 C ATOM 24 C PRO 261 0.581 15.919 43.079 1.00116.26 C ATOM 25 O PRO 261 -0.098 14.895 43.021 1.00116.26 O ATOM 26 N TYR 262 0.059 17.104 43.440 1.00 57.22 N ATOM 27 CA TYR 262 -1.315 17.085 43.853 1.00 57.22 C ATOM 28 CB TYR 262 -1.567 17.824 45.180 1.00 57.22 C ATOM 29 CG TYR 262 -0.796 17.112 46.242 1.00 57.22 C ATOM 30 CD1 TYR 262 -1.203 15.875 46.687 1.00 57.22 C ATOM 31 CD2 TYR 262 0.322 17.682 46.806 1.00 57.22 C ATOM 32 CE1 TYR 262 -0.502 15.218 47.669 1.00 57.22 C ATOM 33 CE2 TYR 262 1.028 17.029 47.792 1.00 57.22 C ATOM 34 CZ TYR 262 0.616 15.791 48.225 1.00 57.22 C ATOM 35 OH TYR 262 1.334 15.113 49.234 1.00 57.22 O ATOM 36 C TYR 262 -2.147 17.743 42.803 1.00 57.22 C ATOM 37 O TYR 262 -1.924 18.896 42.441 1.00 57.22 O ATOM 38 N THR 263 -3.151 17.008 42.281 1.00106.34 N ATOM 39 CA THR 263 -3.965 17.585 41.256 1.00106.34 C ATOM 40 CB THR 263 -3.923 16.834 39.959 1.00106.34 C ATOM 41 OG1 THR 263 -4.401 15.510 40.145 1.00106.34 O ATOM 42 CG2 THR 263 -2.472 16.813 39.451 1.00106.34 C ATOM 43 C THR 263 -5.384 17.641 41.721 1.00106.34 C ATOM 44 O THR 263 -5.854 16.773 42.457 1.00106.34 O ATOM 45 N CYS 264 -6.091 18.711 41.306 1.00 41.25 N ATOM 46 CA CYS 264 -7.464 18.920 41.668 1.00 41.25 C ATOM 47 CB CYS 264 -7.930 20.367 41.422 1.00 41.25 C ATOM 48 SG CYS 264 -9.666 20.655 41.869 1.00 41.25 S ATOM 49 C CYS 264 -8.306 18.017 40.823 1.00 41.25 C ATOM 50 O CYS 264 -8.124 17.925 39.609 1.00 41.25 O ATOM 51 N THR 265 -9.270 17.320 41.454 1.00106.53 N ATOM 52 CA THR 265 -10.086 16.400 40.717 1.00106.53 C ATOM 53 CB THR 265 -10.999 15.594 41.596 1.00106.53 C ATOM 54 OG1 THR 265 -11.667 14.605 40.826 1.00106.53 O ATOM 55 CG2 THR 265 -12.019 16.531 42.265 1.00106.53 C ATOM 56 C THR 265 -10.930 17.130 39.714 1.00106.53 C ATOM 57 O THR 265 -11.105 16.659 38.589 1.00106.53 O ATOM 58 N GLN 266 -11.527 18.273 40.099 1.00 77.78 N ATOM 59 CA GLN 266 -12.400 18.906 39.153 1.00 77.78 C ATOM 60 CB GLN 266 -13.336 19.945 39.795 1.00 77.78 C ATOM 61 CG GLN 266 -14.397 20.458 38.819 1.00 77.78 C ATOM 62 CD GLN 266 -15.328 21.401 39.569 1.00 77.78 C ATOM 63 OE1 GLN 266 -15.867 22.344 38.994 1.00 77.78 O ATOM 64 NE2 GLN 266 -15.528 21.133 40.886 1.00 77.78 N ATOM 65 C GLN 266 -11.678 19.575 38.011 1.00 77.78 C ATOM 66 O GLN 266 -11.983 19.310 36.848 1.00 77.78 O ATOM 67 N CYS 267 -10.723 20.478 38.327 1.00105.34 N ATOM 68 CA CYS 267 -10.005 21.268 37.354 1.00105.34 C ATOM 69 CB CYS 267 -9.127 22.347 38.003 1.00105.34 C ATOM 70 SG CYS 267 -10.013 23.378 39.193 1.00105.34 S ATOM 71 C CYS 267 -9.013 20.438 36.606 1.00105.34 C ATOM 72 O CYS 267 -8.904 20.515 35.382 1.00105.34 O ATOM 73 N GLY 268 -8.241 19.623 37.346 1.00 30.41 N ATOM 74 CA GLY 268 -7.191 18.850 36.752 1.00 30.41 C ATOM 75 C GLY 268 -5.900 19.600 36.909 1.00 30.41 C ATOM 76 O GLY 268 -4.845 19.124 36.490 1.00 30.41 O ATOM 77 N LYS 269 -5.945 20.804 37.522 1.00147.03 N ATOM 78 CA LYS 269 -4.745 21.583 37.689 1.00147.03 C ATOM 79 CB LYS 269 -5.033 23.069 37.951 1.00147.03 C ATOM 80 CG LYS 269 -5.751 23.356 39.265 1.00147.03 C ATOM 81 CD LYS 269 -6.005 24.850 39.450 1.00147.03 C ATOM 82 CE LYS 269 -6.554 25.495 38.173 1.00147.03 C ATOM 83 NZ LYS 269 -7.043 26.868 38.434 1.00147.03 N ATOM 84 C LYS 269 -3.938 21.007 38.811 1.00147.03 C ATOM 85 O LYS 269 -4.484 20.501 39.792 1.00147.03 O ATOM 86 N SER 270 -2.593 21.085 38.694 1.00102.87 N ATOM 87 CA SER 270 -1.737 20.461 39.667 1.00102.87 C ATOM 88 CB SER 270 -0.722 19.503 39.027 1.00102.87 C ATOM 89 OG SER 270 0.043 20.189 38.050 1.00102.87 O ATOM 90 C SER 270 -0.994 21.490 40.466 1.00102.87 C ATOM 91 O SER 270 -0.763 22.609 40.010 1.00102.87 O ATOM 92 N PHE 271 -0.607 21.112 41.708 1.00149.21 N ATOM 93 CA PHE 271 0.040 22.018 42.619 1.00149.21 C ATOM 94 CB PHE 271 -0.865 22.399 43.807 1.00149.21 C ATOM 95 CG PHE 271 -2.079 23.096 43.284 1.00149.21 C ATOM 96 CD1 PHE 271 -3.200 22.382 42.914 1.00149.21 C ATOM 97 CD2 PHE 271 -2.092 24.467 43.153 1.00149.21 C ATOM 98 CE1 PHE 271 -4.318 23.028 42.433 1.00149.21 C ATOM 99 CE2 PHE 271 -3.207 25.115 42.673 1.00149.21 C ATOM 100 CZ PHE 271 -4.318 24.396 42.311 1.00149.21 C ATOM 101 C PHE 271 1.236 21.351 43.227 1.00149.21 C ATOM 102 O PHE 271 1.296 20.128 43.345 1.00149.21 O ATOM 103 N SER 272 2.238 22.163 43.618 1.00 75.41 N ATOM 104 CA SER 272 3.421 21.670 44.257 1.00 75.41 C ATOM 105 CB SER 272 4.510 22.741 44.405 1.00 75.41 C ATOM 106 OG SER 272 5.643 22.173 45.041 1.00 75.41 O ATOM 107 C SER 272 3.091 21.195 45.640 1.00 75.41 C ATOM 108 O SER 272 3.686 20.235 46.128 1.00 75.41 O ATOM 109 N LYS 273 2.130 21.859 46.323 1.00 65.30 N ATOM 110 CA LYS 273 1.878 21.478 47.686 1.00 65.30 C ATOM 111 CB LYS 273 2.384 22.514 48.702 1.00 65.30 C ATOM 112 CG LYS 273 3.911 22.577 48.726 1.00 65.30 C ATOM 113 CD LYS 273 4.494 23.796 49.441 1.00 65.30 C ATOM 114 CE LYS 273 6.023 23.755 49.517 1.00 65.30 C ATOM 115 NZ LYS 273 6.602 23.786 48.156 1.00 65.30 N ATOM 116 C LYS 273 0.415 21.256 47.923 1.00 65.30 C ATOM 117 O LYS 273 -0.443 21.859 47.281 1.00 65.30 O ATOM 118 N SER 274 0.108 20.359 48.885 1.00 70.25 N ATOM 119 CA SER 274 -1.237 19.980 49.216 1.00 70.25 C ATOM 120 CB SER 274 -1.303 18.856 50.264 1.00 70.25 C ATOM 121 OG SER 274 -0.783 19.316 51.502 1.00 70.25 O ATOM 122 C SER 274 -1.979 21.152 49.776 1.00 70.25 C ATOM 123 O SER 274 -3.162 21.334 49.495 1.00 70.25 O ATOM 124 N SER 275 -1.303 21.993 50.581 1.00 61.91 N ATOM 125 CA SER 275 -1.976 23.093 51.214 1.00 61.91 C ATOM 126 CB SER 275 -1.039 23.921 52.109 1.00 61.91 C ATOM 127 OG SER 275 -0.545 23.113 53.165 1.00 61.91 O ATOM 128 C SER 275 -2.493 24.009 50.153 1.00 61.91 C ATOM 129 O SER 275 -3.592 24.549 50.267 1.00 61.91 O ATOM 130 N SER 276 -1.700 24.207 49.088 1.00 26.34 N ATOM 131 CA SER 276 -2.082 25.088 48.024 1.00 26.34 C ATOM 132 CB SER 276 -0.978 25.251 46.963 1.00 26.34 C ATOM 133 OG SER 276 0.206 25.770 47.556 1.00 26.34 O ATOM 134 C SER 276 -3.284 24.523 47.330 1.00 26.34 C ATOM 135 O SER 276 -4.200 25.255 46.962 1.00 26.34 O ATOM 136 N LEU 277 -3.307 23.190 47.133 1.00 98.56 N ATOM 137 CA LEU 277 -4.383 22.561 46.421 1.00 98.56 C ATOM 138 CB LEU 277 -4.151 21.044 46.242 1.00 98.56 C ATOM 139 CG LEU 277 -5.062 20.330 45.210 1.00 98.56 C ATOM 140 CD1 LEU 277 -4.780 18.819 45.180 1.00 98.56 C ATOM 141 CD2 LEU 277 -6.555 20.656 45.376 1.00 98.56 C ATOM 142 C LEU 277 -5.631 22.750 47.224 1.00 98.56 C ATOM 143 O LEU 277 -6.691 23.065 46.682 1.00 98.56 O ATOM 144 N ASN 278 -5.533 22.585 48.554 1.00 47.19 N ATOM 145 CA ASN 278 -6.694 22.693 49.391 1.00 47.19 C ATOM 146 CB ASN 278 -6.379 22.520 50.888 1.00 47.19 C ATOM 147 CG ASN 278 -6.275 21.036 51.219 1.00 47.19 C ATOM 148 OD1 ASN 278 -5.208 20.530 51.559 1.00 47.19 O ATOM 149 ND2 ASN 278 -7.429 20.322 51.128 1.00 47.19 N ATOM 150 C ASN 278 -7.281 24.056 49.238 1.00 47.19 C ATOM 151 O ASN 278 -8.492 24.209 49.079 1.00 47.19 O ATOM 152 N LYS 279 -6.427 25.092 49.267 1.00 84.29 N ATOM 153 CA LYS 279 -6.919 26.432 49.185 1.00 84.29 C ATOM 154 CB LYS 279 -5.788 27.468 49.235 1.00 84.29 C ATOM 155 CG LYS 279 -6.265 28.918 49.277 1.00 84.29 C ATOM 156 CD LYS 279 -5.138 29.895 49.606 1.00 84.29 C ATOM 157 CE LYS 279 -3.997 29.859 48.587 1.00 84.29 C ATOM 158 NZ LYS 279 -3.013 30.920 48.894 1.00 84.29 N ATOM 159 C LYS 279 -7.616 26.574 47.875 1.00 84.29 C ATOM 160 O LYS 279 -8.685 27.181 47.794 1.00 84.29 O ATOM 161 N HIS 280 -7.025 26.003 46.809 1.00 33.90 N ATOM 162 CA HIS 280 -7.613 26.087 45.507 1.00 33.90 C ATOM 163 ND1 HIS 280 -7.484 26.861 42.389 1.00 33.90 N ATOM 164 CG HIS 280 -7.359 25.659 43.045 1.00 33.90 C ATOM 165 CB HIS 280 -6.726 25.504 44.396 1.00 33.90 C ATOM 166 NE2 HIS 280 -8.394 25.320 41.073 1.00 33.90 N ATOM 167 CD2 HIS 280 -7.920 24.727 42.228 1.00 33.90 C ATOM 168 CE1 HIS 280 -8.111 26.600 41.213 1.00 33.90 C ATOM 169 C HIS 280 -8.918 25.301 45.516 1.00 33.90 C ATOM 170 O HIS 280 -9.887 25.780 44.869 1.00 33.90 O ATOM 171 OXT HIS 280 -8.966 24.215 46.155 1.00 33.90 O