EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:50 REMARK 6 MODELLER OBJECTIVE FUNCTION: 82.4450 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1006.42108 REMARK 6 GA341 score: 0.77241 REMARK 6 Normalized DOPE score: 0.47589 REMARK 6 TEMPLATE: 2i13A02 75:A - 94:A MODELS 1: - 20: AT 55.0% ATOM 1 N GLU 241 -7.090 36.407 40.964 1.00 61.78 N ATOM 2 CA GLU 241 -7.320 36.309 42.426 1.00 61.78 C ATOM 3 CB GLU 241 -8.012 37.586 42.938 1.00 61.78 C ATOM 4 CG GLU 241 -7.177 38.867 42.821 1.00 61.78 C ATOM 5 CD GLU 241 -8.081 40.039 43.168 1.00 61.78 C ATOM 6 OE1 GLU 241 -9.297 39.793 43.380 1.00 61.78 O ATOM 7 OE2 GLU 241 -7.574 41.191 43.219 1.00 61.78 O ATOM 8 C GLU 241 -8.206 35.138 42.726 1.00 61.78 C ATOM 9 O GLU 241 -7.983 34.031 42.235 1.00 61.78 O ATOM 10 N LYS 242 -9.235 35.353 43.571 1.00122.67 N ATOM 11 CA LYS 242 -10.138 34.284 43.874 1.00122.67 C ATOM 12 CB LYS 242 -10.246 33.998 45.386 1.00122.67 C ATOM 13 CG LYS 242 -8.878 33.711 46.013 1.00122.67 C ATOM 14 CD LYS 242 -8.058 34.989 46.227 1.00122.67 C ATOM 15 CE LYS 242 -6.536 34.804 46.230 1.00122.67 C ATOM 16 NZ LYS 242 -6.115 33.901 47.324 1.00122.67 N ATOM 17 C LYS 242 -11.479 34.707 43.361 1.00122.67 C ATOM 18 O LYS 242 -12.211 35.484 43.979 1.00122.67 O ATOM 19 N PRO 243 -11.792 34.211 42.207 1.00112.70 N ATOM 20 CA PRO 243 -13.021 34.554 41.551 1.00112.70 C ATOM 21 CD PRO 243 -10.745 33.852 41.266 1.00112.70 C ATOM 22 CB PRO 243 -12.868 34.071 40.112 1.00112.70 C ATOM 23 CG PRO 243 -11.349 34.090 39.876 1.00112.70 C ATOM 24 C PRO 243 -14.256 34.035 42.213 1.00112.70 C ATOM 25 O PRO 243 -15.296 34.683 42.111 1.00112.70 O ATOM 26 N PHE 244 -14.186 32.896 42.916 1.00 65.58 N ATOM 27 CA PHE 244 -15.417 32.352 43.404 1.00 65.58 C ATOM 28 CB PHE 244 -15.468 30.826 43.273 1.00 65.58 C ATOM 29 CG PHE 244 -15.263 30.547 41.832 1.00 65.58 C ATOM 30 CD1 PHE 244 -16.308 30.659 40.945 1.00 65.58 C ATOM 31 CD2 PHE 244 -14.023 30.176 41.371 1.00 65.58 C ATOM 32 CE1 PHE 244 -16.117 30.400 39.610 1.00 65.58 C ATOM 33 CE2 PHE 244 -13.832 29.917 40.036 1.00 65.58 C ATOM 34 CZ PHE 244 -14.876 30.037 39.150 1.00 65.58 C ATOM 35 C PHE 244 -15.583 32.700 44.851 1.00 65.58 C ATOM 36 O PHE 244 -14.682 32.491 45.662 1.00 65.58 O ATOM 37 N ALA 245 -16.764 33.253 45.203 1.00 32.63 N ATOM 38 CA ALA 245 -17.016 33.623 46.567 1.00 32.63 C ATOM 39 CB ALA 245 -17.383 35.102 46.774 1.00 32.63 C ATOM 40 C ALA 245 -18.175 32.828 47.064 1.00 32.63 C ATOM 41 O ALA 245 -19.160 32.609 46.360 1.00 32.63 O ATOM 42 N CYS 246 -18.057 32.349 48.315 1.00 45.53 N ATOM 43 CA CYS 246 -19.103 31.578 48.917 1.00 45.53 C ATOM 44 CB CYS 246 -18.640 30.702 50.072 1.00 45.53 C ATOM 45 SG CYS 246 -20.059 29.795 50.746 1.00 45.53 S ATOM 46 C CYS 246 -20.146 32.503 49.446 1.00 45.53 C ATOM 47 O CYS 246 -19.841 33.559 49.998 1.00 45.53 O ATOM 48 N SER 247 -21.425 32.119 49.292 1.00 45.35 N ATOM 49 CA SER 247 -22.478 32.984 49.728 1.00 45.35 C ATOM 50 CB SER 247 -23.885 32.463 49.379 1.00 45.35 C ATOM 51 OG SER 247 -24.165 31.261 50.084 1.00 45.35 O ATOM 52 C SER 247 -22.446 33.157 51.213 1.00 45.35 C ATOM 53 O SER 247 -22.445 34.283 51.709 1.00 45.35 O ATOM 54 N GLN 248 -22.468 32.041 51.971 1.00117.91 N ATOM 55 CA GLN 248 -22.581 32.153 53.401 1.00117.91 C ATOM 56 CB GLN 248 -23.014 30.836 54.064 1.00117.91 C ATOM 57 CG GLN 248 -24.482 30.515 53.793 1.00117.91 C ATOM 58 CD GLN 248 -24.778 29.118 54.314 1.00117.91 C ATOM 59 OE1 GLN 248 -25.237 28.260 53.564 1.00117.91 O ATOM 60 NE2 GLN 248 -24.513 28.863 55.625 1.00117.91 N ATOM 61 C GLN 248 -21.346 32.629 54.116 1.00117.91 C ATOM 62 O GLN 248 -21.405 33.563 54.919 1.00117.91 O ATOM 63 N CYS 249 -20.198 31.967 53.870 1.00 55.34 N ATOM 64 CA CYS 249 -18.985 32.287 54.575 1.00 55.34 C ATOM 65 CB CYS 249 -17.926 31.166 54.526 1.00 55.34 C ATOM 66 SG CYS 249 -17.373 30.716 52.860 1.00 55.34 S ATOM 67 C CYS 249 -18.396 33.574 54.091 1.00 55.34 C ATOM 68 O CYS 249 -17.893 34.368 54.885 1.00 55.34 O ATOM 69 N GLY 250 -18.436 33.807 52.762 1.00 31.60 N ATOM 70 CA GLY 250 -17.961 35.036 52.189 1.00 31.60 C ATOM 71 C GLY 250 -16.550 34.893 51.708 1.00 31.60 C ATOM 72 O GLY 250 -16.001 35.806 51.094 1.00 31.60 O ATOM 73 N LYS 251 -15.905 33.745 51.963 1.00113.83 N ATOM 74 CA LYS 251 -14.545 33.635 51.523 1.00113.83 C ATOM 75 CB LYS 251 -13.692 32.677 52.358 1.00113.83 C ATOM 76 CG LYS 251 -14.158 31.230 52.346 1.00113.83 C ATOM 77 CD LYS 251 -13.195 30.343 53.131 1.00113.83 C ATOM 78 CE LYS 251 -13.326 28.855 52.823 1.00113.83 C ATOM 79 NZ LYS 251 -12.005 28.210 52.980 1.00113.83 N ATOM 80 C LYS 251 -14.497 33.248 50.079 1.00113.83 C ATOM 81 O LYS 251 -15.461 32.721 49.519 1.00113.83 O ATOM 82 N SER 252 -13.346 33.531 49.429 1.00 60.96 N ATOM 83 CA SER 252 -13.239 33.260 48.025 1.00 60.96 C ATOM 84 CB SER 252 -12.858 34.472 47.163 1.00 60.96 C ATOM 85 OG SER 252 -13.912 35.427 47.188 1.00 60.96 O ATOM 86 C SER 252 -12.202 32.218 47.767 1.00 60.96 C ATOM 87 O SER 252 -11.297 31.990 48.570 1.00 60.96 O ATOM 88 N PHE 253 -12.323 31.552 46.596 1.00 78.85 N ATOM 89 CA PHE 253 -11.456 30.451 46.270 1.00 78.85 C ATOM 90 CB PHE 253 -12.209 29.106 46.208 1.00 78.85 C ATOM 91 CG PHE 253 -12.919 28.940 47.502 1.00 78.85 C ATOM 92 CD1 PHE 253 -12.239 28.572 48.641 1.00 78.85 C ATOM 93 CD2 PHE 253 -14.276 29.164 47.558 1.00 78.85 C ATOM 94 CE1 PHE 253 -12.913 28.428 49.827 1.00 78.85 C ATOM 95 CE2 PHE 253 -14.957 29.022 48.738 1.00 78.85 C ATOM 96 CZ PHE 253 -14.266 28.661 49.869 1.00 78.85 C ATOM 97 C PHE 253 -10.904 30.651 44.893 1.00 78.85 C ATOM 98 O PHE 253 -11.506 31.321 44.055 1.00 78.85 O ATOM 99 N THR 254 -9.717 30.067 44.633 1.00101.95 N ATOM 100 CA THR 254 -9.129 30.148 43.332 1.00101.95 C ATOM 101 CB THR 254 -7.744 29.575 43.256 1.00101.95 C ATOM 102 OG1 THR 254 -7.753 28.193 43.578 1.00101.95 O ATOM 103 CG2 THR 254 -6.836 30.338 44.231 1.00101.95 C ATOM 104 C THR 254 -9.965 29.365 42.370 1.00101.95 C ATOM 105 O THR 254 -10.169 29.797 41.237 1.00101.95 O ATOM 106 N THR 255 -10.459 28.182 42.787 1.00101.11 N ATOM 107 CA THR 255 -11.200 27.381 41.853 1.00101.11 C ATOM 108 CB THR 255 -10.544 26.069 41.534 1.00101.11 C ATOM 109 OG1 THR 255 -10.294 25.355 42.735 1.00101.11 O ATOM 110 CG2 THR 255 -9.227 26.327 40.786 1.00101.11 C ATOM 111 C THR 255 -12.560 27.079 42.390 1.00101.11 C ATOM 112 O THR 255 -12.775 26.975 43.596 1.00101.11 O ATOM 113 N LYS 256 -13.514 26.946 41.449 1.00104.26 N ATOM 114 CA LYS 256 -14.885 26.634 41.705 1.00104.26 C ATOM 115 CB LYS 256 -15.701 26.608 40.408 1.00104.26 C ATOM 116 CG LYS 256 -17.128 26.124 40.613 1.00104.26 C ATOM 117 CD LYS 256 -17.997 27.103 41.394 1.00104.26 C ATOM 118 CE LYS 256 -18.469 28.262 40.522 1.00104.26 C ATOM 119 NZ LYS 256 -19.226 29.239 41.331 1.00104.26 N ATOM 120 C LYS 256 -14.931 25.273 42.319 1.00104.26 C ATOM 121 O LYS 256 -15.723 25.000 43.219 1.00104.26 O ATOM 122 N ALA 257 -14.040 24.385 41.857 1.00 30.52 N ATOM 123 CA ALA 257 -14.038 23.033 42.326 1.00 30.52 C ATOM 124 CB ALA 257 -12.901 22.219 41.689 1.00 30.52 C ATOM 125 C ALA 257 -13.834 23.023 43.814 1.00 30.52 C ATOM 126 O ALA 257 -14.542 22.304 44.519 1.00 30.52 O ATOM 127 N SER 258 -12.873 23.815 44.338 1.00 40.25 N ATOM 128 CA SER 258 -12.624 23.822 45.754 1.00 40.25 C ATOM 129 CB SER 258 -11.271 24.428 46.156 1.00 40.25 C ATOM 130 OG SER 258 -10.232 23.519 45.826 1.00 40.25 O ATOM 131 C SER 258 -13.701 24.550 46.490 1.00 40.25 C ATOM 132 O SER 258 -13.905 24.297 47.676 1.00 40.25 O ATOM 133 N LEU 259 -14.417 25.466 45.810 1.00100.23 N ATOM 134 CA LEU 259 -15.455 26.220 46.453 1.00100.23 C ATOM 135 CB LEU 259 -16.232 27.071 45.430 1.00100.23 C ATOM 136 CG LEU 259 -17.262 28.070 45.991 1.00100.23 C ATOM 137 CD1 LEU 259 -17.993 28.772 44.837 1.00100.23 C ATOM 138 CD2 LEU 259 -18.215 27.462 47.034 1.00100.23 C ATOM 139 C LEU 259 -16.390 25.180 46.966 1.00100.23 C ATOM 140 O LEU 259 -16.836 25.218 48.112 1.00100.23 O ATOM 141 N MET 260 -16.686 24.196 46.113 1.00 81.95 N ATOM 142 CA MET 260 -17.552 23.137 46.520 1.00 81.95 C ATOM 143 CB MET 260 -17.870 22.181 45.368 1.00 81.95 C ATOM 144 CG MET 260 -18.614 22.885 44.237 1.00 81.95 C ATOM 145 SD MET 260 -20.345 23.271 44.623 1.00 81.95 S ATOM 146 CE MET 260 -19.982 24.619 45.782 1.00 81.95 C ATOM 147 C MET 260 -16.827 22.348 47.600 1.00 81.95 C ATOM 148 O MET 260 -17.412 22.172 48.700 1.00 81.95 O ATOM 149 OXT MET 260 -15.675 21.909 47.334 1.00 81.95 O