EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:17:57 REMARK 6 MODELLER OBJECTIVE FUNCTION: 84.3172 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 61.905 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1178.37354 REMARK 6 GA341 score: 0.93817 REMARK 6 Normalized DOPE score: -0.11666 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 61.9% ATOM 1 N GLU 279 -13.080 48.150 55.177 1.00100.10 N ATOM 2 CA GLU 279 -13.481 47.617 53.854 1.00100.10 C ATOM 3 CB GLU 279 -12.914 48.472 52.708 1.00100.10 C ATOM 4 CG GLU 279 -13.342 49.936 52.755 1.00100.10 C ATOM 5 CD GLU 279 -12.381 50.608 53.713 1.00100.10 C ATOM 6 OE1 GLU 279 -11.306 49.999 53.966 1.00100.10 O ATOM 7 OE2 GLU 279 -12.694 51.724 54.209 1.00100.10 O ATOM 8 C GLU 279 -12.913 46.254 53.669 1.00100.10 C ATOM 9 O GLU 279 -11.874 45.923 54.240 1.00100.10 O ATOM 10 N LYS 280 -13.611 45.411 52.885 1.00 65.49 N ATOM 11 CA LYS 280 -13.060 44.122 52.596 1.00 65.49 C ATOM 12 CB LYS 280 -13.808 42.992 53.321 1.00 65.49 C ATOM 13 CG LYS 280 -13.658 43.097 54.842 1.00 65.49 C ATOM 14 CD LYS 280 -14.523 42.123 55.641 1.00 65.49 C ATOM 15 CE LYS 280 -14.343 42.274 57.154 1.00 65.49 C ATOM 16 NZ LYS 280 -15.018 41.163 57.858 1.00 65.49 N ATOM 17 C LYS 280 -13.167 43.915 51.110 1.00 65.49 C ATOM 18 O LYS 280 -14.117 43.329 50.596 1.00 65.49 O ATOM 19 N PRO 281 -12.173 44.414 50.426 1.00115.83 N ATOM 20 CA PRO 281 -12.151 44.338 48.989 1.00115.83 C ATOM 21 CD PRO 281 -11.503 45.615 50.909 1.00115.83 C ATOM 22 CB PRO 281 -11.130 45.384 48.534 1.00115.83 C ATOM 23 CG PRO 281 -11.141 46.431 49.661 1.00115.83 C ATOM 24 C PRO 281 -11.920 42.980 48.390 1.00115.83 C ATOM 25 O PRO 281 -12.271 42.797 47.227 1.00115.83 O ATOM 26 N PHE 282 -11.330 42.018 49.125 1.00 66.37 N ATOM 27 CA PHE 282 -11.024 40.767 48.492 1.00 66.37 C ATOM 28 CB PHE 282 -9.567 40.316 48.731 1.00 66.37 C ATOM 29 CG PHE 282 -8.716 41.236 47.926 1.00 66.37 C ATOM 30 CD1 PHE 282 -8.515 40.984 46.588 1.00 66.37 C ATOM 31 CD2 PHE 282 -8.122 42.348 48.485 1.00 66.37 C ATOM 32 CE1 PHE 282 -7.738 41.819 45.823 1.00 66.37 C ATOM 33 CE2 PHE 282 -7.344 43.190 47.724 1.00 66.37 C ATOM 34 CZ PHE 282 -7.153 42.928 46.388 1.00 66.37 C ATOM 35 C PHE 282 -11.930 39.702 49.021 1.00 66.37 C ATOM 36 O PHE 282 -11.934 39.419 50.214 1.00 66.37 O ATOM 37 N ALA 283 -12.715 39.062 48.131 1.00 38.45 N ATOM 38 CA ALA 283 -13.600 38.044 48.611 1.00 38.45 C ATOM 39 CB ALA 283 -15.086 38.306 48.307 1.00 38.45 C ATOM 40 C ALA 283 -13.234 36.748 47.977 1.00 38.45 C ATOM 41 O ALA 283 -12.857 36.682 46.807 1.00 38.45 O ATOM 42 N CYS 284 -13.321 35.673 48.781 1.00 42.15 N ATOM 43 CA CYS 284 -13.035 34.349 48.327 1.00 42.15 C ATOM 44 CB CYS 284 -12.958 33.342 49.483 1.00 42.15 C ATOM 45 SG CYS 284 -12.603 31.656 48.916 1.00 42.15 S ATOM 46 C CYS 284 -14.152 33.918 47.427 1.00 42.15 C ATOM 47 O CYS 284 -15.327 33.997 47.784 1.00 42.15 O ATOM 48 N ALA 285 -13.806 33.442 46.217 1.00 35.00 N ATOM 49 CA ALA 285 -14.825 33.008 45.313 1.00 35.00 C ATOM 50 CB ALA 285 -14.282 32.556 43.948 1.00 35.00 C ATOM 51 C ALA 285 -15.515 31.826 45.914 1.00 35.00 C ATOM 52 O ALA 285 -16.735 31.700 45.827 1.00 35.00 O ATOM 53 N GLN 286 -14.725 30.904 46.497 1.00137.79 N ATOM 54 CA GLN 286 -15.285 29.682 47.002 1.00137.79 C ATOM 55 CB GLN 286 -14.191 28.652 47.325 1.00137.79 C ATOM 56 CG GLN 286 -13.422 28.157 46.098 1.00137.79 C ATOM 57 CD GLN 286 -14.223 27.022 45.481 1.00137.79 C ATOM 58 OE1 GLN 286 -15.441 26.951 45.634 1.00137.79 O ATOM 59 NE2 GLN 286 -13.520 26.097 44.774 1.00137.79 N ATOM 60 C GLN 286 -16.136 29.853 48.237 1.00137.79 C ATOM 61 O GLN 286 -17.312 29.489 48.218 1.00137.79 O ATOM 62 N CYS 287 -15.565 30.377 49.348 1.00 62.50 N ATOM 63 CA CYS 287 -16.295 30.514 50.589 1.00 62.50 C ATOM 64 CB CYS 287 -15.397 30.524 51.844 1.00 62.50 C ATOM 65 SG CYS 287 -14.226 31.909 51.895 1.00 62.50 S ATOM 66 C CYS 287 -17.195 31.719 50.609 1.00 62.50 C ATOM 67 O CYS 287 -18.295 31.672 51.157 1.00 62.50 O ATOM 68 N GLY 288 -16.749 32.848 50.019 1.00 31.57 N ATOM 69 CA GLY 288 -17.559 34.035 50.007 1.00 31.57 C ATOM 70 C GLY 288 -17.148 34.984 51.101 1.00 31.57 C ATOM 71 O GLY 288 -17.712 36.071 51.215 1.00 31.57 O ATOM 72 N LYS 289 -16.164 34.621 51.945 1.00 88.89 N ATOM 73 CA LYS 289 -15.794 35.558 52.972 1.00 88.89 C ATOM 74 CB LYS 289 -15.108 34.917 54.191 1.00 88.89 C ATOM 75 CG LYS 289 -15.003 35.844 55.405 1.00 88.89 C ATOM 76 CD LYS 289 -14.686 35.089 56.697 1.00 88.89 C ATOM 77 CE LYS 289 -15.717 34.000 56.999 1.00 88.89 C ATOM 78 NZ LYS 289 -15.213 33.096 58.057 1.00 88.89 N ATOM 79 C LYS 289 -14.883 36.590 52.381 1.00 88.89 C ATOM 80 O LYS 289 -14.117 36.315 51.458 1.00 88.89 O ATOM 81 N SER 290 -14.941 37.834 52.905 1.00 93.21 N ATOM 82 CA SER 290 -14.141 38.887 52.349 1.00 93.21 C ATOM 83 CB SER 290 -14.960 40.119 51.928 1.00 93.21 C ATOM 84 OG SER 290 -15.836 40.497 52.977 1.00 93.21 O ATOM 85 C SER 290 -13.086 39.299 53.328 1.00 93.21 C ATOM 86 O SER 290 -13.253 39.171 54.539 1.00 93.21 O ATOM 87 N PHE 291 -11.944 39.800 52.799 1.00 73.30 N ATOM 88 CA PHE 291 -10.817 40.133 53.623 1.00 73.30 C ATOM 89 CB PHE 291 -9.677 39.115 53.495 1.00 73.30 C ATOM 90 CG PHE 291 -10.158 37.930 54.248 1.00 73.30 C ATOM 91 CD1 PHE 291 -9.911 37.839 55.597 1.00 73.30 C ATOM 92 CD2 PHE 291 -10.870 36.930 53.629 1.00 73.30 C ATOM 93 CE1 PHE 291 -10.357 36.757 56.317 1.00 73.30 C ATOM 94 CE2 PHE 291 -11.316 35.842 54.344 1.00 73.30 C ATOM 95 CZ PHE 291 -11.062 35.756 55.693 1.00 73.30 C ATOM 96 C PHE 291 -10.263 41.475 53.281 1.00 73.30 C ATOM 97 O PHE 291 -10.446 42.005 52.187 1.00 73.30 O ATOM 98 N THR 292 -9.574 42.057 54.282 1.00108.88 N ATOM 99 CA THR 292 -8.949 43.341 54.226 1.00108.88 C ATOM 100 CB THR 292 -8.449 43.773 55.574 1.00108.88 C ATOM 101 OG1 THR 292 -7.846 45.054 55.484 1.00108.88 O ATOM 102 CG2 THR 292 -7.447 42.735 56.106 1.00108.88 C ATOM 103 C THR 292 -7.789 43.317 53.275 1.00108.88 C ATOM 104 O THR 292 -7.563 44.286 52.552 1.00108.88 O ATOM 105 N CYS 293 -7.009 42.214 53.256 1.00 34.03 N ATOM 106 CA CYS 293 -5.849 42.191 52.413 1.00 34.03 C ATOM 107 CB CYS 293 -4.529 42.140 53.199 1.00 34.03 C ATOM 108 SG CYS 293 -4.268 43.636 54.194 1.00 34.03 S ATOM 109 C CYS 293 -5.879 40.969 51.555 1.00 34.03 C ATOM 110 O CYS 293 -6.356 39.912 51.966 1.00 34.03 O ATOM 111 N LYS 294 -5.365 41.112 50.314 1.00 56.91 N ATOM 112 CA LYS 294 -5.340 40.027 49.380 1.00 56.91 C ATOM 113 CB LYS 294 -4.953 40.433 47.948 1.00 56.91 C ATOM 114 CG LYS 294 -5.393 39.361 46.947 1.00 56.91 C ATOM 115 CD LYS 294 -5.353 39.780 45.478 1.00 56.91 C ATOM 116 CE LYS 294 -6.061 38.766 44.572 1.00 56.91 C ATOM 117 NZ LYS 294 -5.788 39.056 43.149 1.00 56.91 N ATOM 118 C LYS 294 -4.376 38.999 49.861 1.00 56.91 C ATOM 119 O LYS 294 -4.600 37.801 49.702 1.00 56.91 O ATOM 120 N ALA 295 -3.274 39.446 50.485 1.00 23.87 N ATOM 121 CA ALA 295 -2.292 38.516 50.956 1.00 23.87 C ATOM 122 CB ALA 295 -1.116 39.209 51.665 1.00 23.87 C ATOM 123 C ALA 295 -2.959 37.623 51.953 1.00 23.87 C ATOM 124 O ALA 295 -2.690 36.423 51.998 1.00 23.87 O ATOM 125 N ASN 296 -3.846 38.200 52.786 1.00 46.86 N ATOM 126 CA ASN 296 -4.535 37.461 53.806 1.00 46.86 C ATOM 127 CB ASN 296 -5.428 38.369 54.673 1.00 46.86 C ATOM 128 CG ASN 296 -4.544 39.375 55.399 1.00 46.86 C ATOM 129 OD1 ASN 296 -3.321 39.247 55.429 1.00 46.86 O ATOM 130 ND2 ASN 296 -5.185 40.408 56.007 1.00 46.86 N ATOM 131 C ASN 296 -5.431 36.432 53.181 1.00 46.86 C ATOM 132 O ASN 296 -5.446 35.272 53.583 1.00 46.86 O ATOM 133 N LEU 297 -6.218 36.821 52.166 1.00 63.42 N ATOM 134 CA LEU 297 -7.125 35.847 51.636 1.00 63.42 C ATOM 135 CB LEU 297 -8.171 36.417 50.680 1.00 63.42 C ATOM 136 CG LEU 297 -9.197 35.333 50.317 1.00 63.42 C ATOM 137 CD1 LEU 297 -9.931 34.838 51.574 1.00 63.42 C ATOM 138 CD2 LEU 297 -10.156 35.811 49.226 1.00 63.42 C ATOM 139 C LEU 297 -6.363 34.773 50.927 1.00 63.42 C ATOM 140 O LEU 297 -6.768 33.612 50.940 1.00 63.42 O ATOM 141 N ARG 298 -5.238 35.141 50.287 1.00101.27 N ATOM 142 CA ARG 298 -4.447 34.217 49.528 1.00101.27 C ATOM 143 CB ARG 298 -3.184 34.900 48.948 1.00101.27 C ATOM 144 CG ARG 298 -2.433 34.106 47.880 1.00101.27 C ATOM 145 CD ARG 298 -1.348 34.921 47.163 1.00101.27 C ATOM 146 NE ARG 298 -0.655 33.995 46.224 1.00101.27 N ATOM 147 CZ ARG 298 -0.584 34.278 44.888 1.00101.27 C ATOM 148 NH1 ARG 298 -1.128 35.424 44.384 1.00101.27 N ATOM 149 NH2 ARG 298 0.038 33.400 44.051 1.00101.27 N ATOM 150 C ARG 298 -4.017 33.132 50.460 1.00101.27 C ATOM 151 O ARG 298 -4.096 31.948 50.134 1.00101.27 O ATOM 152 N ASN 299 -3.580 33.518 51.671 1.00 23.09 N ATOM 153 CA ASN 299 -3.124 32.547 52.616 1.00 23.09 C ATOM 154 CB ASN 299 -2.633 33.166 53.940 1.00 23.09 C ATOM 155 CG ASN 299 -1.297 33.863 53.710 1.00 23.09 C ATOM 156 OD1 ASN 299 -0.598 33.608 52.730 1.00 23.09 O ATOM 157 ND2 ASN 299 -0.918 34.760 54.661 1.00 23.09 N ATOM 158 C ASN 299 -4.270 31.593 52.928 1.00 23.09 C ATOM 159 O ASN 299 -5.412 32.067 53.172 1.00 23.09 O ATOM 160 OXT ASN 299 -4.010 30.360 52.924 1.00 23.09 O