EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.0028 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1266.61780 REMARK 6 GA341 score: 0.99577 REMARK 6 Normalized DOPE score: -0.28579 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 231 -16.968 37.343 35.767 1.00 64.07 N ATOM 2 CA GLU 231 -17.494 36.174 36.503 1.00 64.07 C ATOM 3 CB GLU 231 -17.378 34.887 35.668 1.00 64.07 C ATOM 4 CG GLU 231 -18.306 34.797 34.457 1.00 64.07 C ATOM 5 CD GLU 231 -18.065 33.447 33.789 1.00 64.07 C ATOM 6 OE1 GLU 231 -16.990 33.281 33.152 1.00 64.07 O ATOM 7 OE2 GLU 231 -18.953 32.561 33.920 1.00 64.07 O ATOM 8 C GLU 231 -16.700 35.915 37.731 1.00 64.07 C ATOM 9 O GLU 231 -15.829 36.696 38.114 1.00 64.07 O ATOM 10 N LYS 232 -17.032 34.799 38.401 1.00 89.57 N ATOM 11 CA LYS 232 -16.273 34.356 39.524 1.00 89.57 C ATOM 12 CB LYS 232 -17.046 34.524 40.839 1.00 89.57 C ATOM 13 CG LYS 232 -17.418 35.989 41.086 1.00 89.57 C ATOM 14 CD LYS 232 -18.504 36.202 42.143 1.00 89.57 C ATOM 15 CE LYS 232 -18.983 37.654 42.235 1.00 89.57 C ATOM 16 NZ LYS 232 -19.848 37.986 41.077 1.00 89.57 N ATOM 17 C LYS 232 -16.069 32.903 39.252 1.00 89.57 C ATOM 18 O LYS 232 -16.858 32.046 39.649 1.00 89.57 O ATOM 19 N PRO 233 -15.013 32.642 38.540 1.00114.94 N ATOM 20 CA PRO 233 -14.690 31.312 38.098 1.00114.94 C ATOM 21 CD PRO 233 -14.423 33.662 37.690 1.00114.94 C ATOM 22 CB PRO 233 -13.673 31.482 36.963 1.00114.94 C ATOM 23 CG PRO 233 -13.227 32.954 37.042 1.00114.94 C ATOM 24 C PRO 233 -14.246 30.342 39.150 1.00114.94 C ATOM 25 O PRO 233 -14.317 29.142 38.892 1.00114.94 O ATOM 26 N PHE 234 -13.792 30.800 40.329 1.00 62.20 N ATOM 27 CA PHE 234 -13.233 29.851 41.251 1.00 62.20 C ATOM 28 CB PHE 234 -11.975 30.407 41.931 1.00 62.20 C ATOM 29 CG PHE 234 -11.092 30.896 40.833 1.00 62.20 C ATOM 30 CD1 PHE 234 -10.346 30.028 40.068 1.00 62.20 C ATOM 31 CD2 PHE 234 -11.008 32.246 40.574 1.00 62.20 C ATOM 32 CE1 PHE 234 -9.539 30.498 39.057 1.00 62.20 C ATOM 33 CE2 PHE 234 -10.204 32.722 39.566 1.00 62.20 C ATOM 34 CZ PHE 234 -9.468 31.846 38.803 1.00 62.20 C ATOM 35 C PHE 234 -14.245 29.573 42.319 1.00 62.20 C ATOM 36 O PHE 234 -14.703 30.492 42.996 1.00 62.20 O ATOM 37 N THR 235 -14.593 28.284 42.524 1.00107.04 N ATOM 38 CA THR 235 -15.625 27.955 43.469 1.00107.04 C ATOM 39 CB THR 235 -16.670 27.054 42.884 1.00107.04 C ATOM 40 OG1 THR 235 -16.103 25.786 42.585 1.00107.04 O ATOM 41 CG2 THR 235 -17.205 27.695 41.592 1.00107.04 C ATOM 42 C THR 235 -15.038 27.195 44.621 1.00107.04 C ATOM 43 O THR 235 -14.196 26.317 44.442 1.00107.04 O ATOM 44 N CYS 236 -15.476 27.532 45.855 1.00 39.87 N ATOM 45 CA CYS 236 -15.035 26.827 47.028 1.00 39.87 C ATOM 46 CB CYS 236 -15.208 27.625 48.331 1.00 39.87 C ATOM 47 SG CYS 236 -14.642 26.712 49.798 1.00 39.87 S ATOM 48 C CYS 236 -15.857 25.583 47.159 1.00 39.87 C ATOM 49 O CYS 236 -17.084 25.614 47.071 1.00 39.87 O ATOM 50 N THR 237 -15.179 24.445 47.389 1.00 40.40 N ATOM 51 CA THR 237 -15.847 23.183 47.492 1.00 40.40 C ATOM 52 CB THR 237 -14.883 22.035 47.595 1.00 40.40 C ATOM 53 OG1 THR 237 -14.038 22.006 46.453 1.00 40.40 O ATOM 54 CG2 THR 237 -15.678 20.723 47.694 1.00 40.40 C ATOM 55 C THR 237 -16.726 23.162 48.706 1.00 40.40 C ATOM 56 O THR 237 -17.853 22.674 48.646 1.00 40.40 O ATOM 57 N GLN 238 -16.228 23.661 49.854 1.00 71.67 N ATOM 58 CA GLN 238 -17.021 23.535 51.045 1.00 71.67 C ATOM 59 CB GLN 238 -16.239 23.936 52.305 1.00 71.67 C ATOM 60 CG GLN 238 -17.044 23.818 53.601 1.00 71.67 C ATOM 61 CD GLN 238 -16.193 24.398 54.720 1.00 71.67 C ATOM 62 OE1 GLN 238 -16.244 25.594 54.999 1.00 71.67 O ATOM 63 NE2 GLN 238 -15.376 23.529 55.372 1.00 71.67 N ATOM 64 C GLN 238 -18.266 24.377 51.034 1.00 71.67 C ATOM 65 O GLN 238 -19.375 23.846 51.102 1.00 71.67 O ATOM 66 N CYS 239 -18.099 25.717 50.963 1.00 63.37 N ATOM 67 CA CYS 239 -19.185 26.667 51.025 1.00 63.37 C ATOM 68 CB CYS 239 -18.726 28.066 51.457 1.00 63.37 C ATOM 69 SG CYS 239 -17.538 28.787 50.292 1.00 63.37 S ATOM 70 C CYS 239 -19.929 26.805 49.732 1.00 63.37 C ATOM 71 O CYS 239 -21.153 26.926 49.724 1.00 63.37 O ATOM 72 N GLY 240 -19.211 26.797 48.594 1.00 28.10 N ATOM 73 CA GLY 240 -19.865 26.989 47.332 1.00 28.10 C ATOM 74 C GLY 240 -19.734 28.430 46.928 1.00 28.10 C ATOM 75 O GLY 240 -20.272 28.836 45.899 1.00 28.10 O ATOM 76 N LYS 241 -19.020 29.256 47.721 1.00 78.91 N ATOM 77 CA LYS 241 -18.872 30.639 47.354 1.00 78.91 C ATOM 78 CB LYS 241 -18.373 31.544 48.492 1.00 78.91 C ATOM 79 CG LYS 241 -18.425 33.030 48.132 1.00 78.91 C ATOM 80 CD LYS 241 -18.299 33.966 49.337 1.00 78.91 C ATOM 81 CE LYS 241 -16.917 34.606 49.481 1.00 78.91 C ATOM 82 NZ LYS 241 -16.906 35.528 50.638 1.00 78.91 N ATOM 83 C LYS 241 -17.894 30.736 46.221 1.00 78.91 C ATOM 84 O LYS 241 -16.963 29.936 46.119 1.00 78.91 O ATOM 85 N SER 242 -18.087 31.737 45.333 1.00 55.34 N ATOM 86 CA SER 242 -17.230 31.866 44.185 1.00 55.34 C ATOM 87 CB SER 242 -17.983 31.941 42.849 1.00 55.34 C ATOM 88 OG SER 242 -18.679 30.725 42.626 1.00 55.34 O ATOM 89 C SER 242 -16.422 33.122 44.295 1.00 55.34 C ATOM 90 O SER 242 -16.843 34.098 44.914 1.00 55.34 O ATOM 91 N PHE 243 -15.222 33.110 43.672 1.00144.68 N ATOM 92 CA PHE 243 -14.301 34.211 43.757 1.00144.68 C ATOM 93 CB PHE 243 -13.029 33.845 44.535 1.00144.68 C ATOM 94 CG PHE 243 -13.441 33.451 45.907 1.00144.68 C ATOM 95 CD1 PHE 243 -13.862 32.166 46.159 1.00144.68 C ATOM 96 CD2 PHE 243 -13.422 34.364 46.934 1.00144.68 C ATOM 97 CE1 PHE 243 -14.248 31.796 47.426 1.00144.68 C ATOM 98 CE2 PHE 243 -13.807 33.996 48.201 1.00144.68 C ATOM 99 CZ PHE 243 -14.222 32.711 48.448 1.00144.68 C ATOM 100 C PHE 243 -13.823 34.562 42.382 1.00144.68 C ATOM 101 O PHE 243 -13.777 33.724 41.485 1.00144.68 O ATOM 102 N SER 244 -13.473 35.850 42.189 1.00 38.85 N ATOM 103 CA SER 244 -12.946 36.338 40.948 1.00 38.85 C ATOM 104 CB SER 244 -12.913 37.876 40.877 1.00 38.85 C ATOM 105 OG SER 244 -11.946 38.391 41.782 1.00 38.85 O ATOM 106 C SER 244 -11.529 35.866 40.798 1.00 38.85 C ATOM 107 O SER 244 -11.054 35.666 39.680 1.00 38.85 O ATOM 108 N GLN 245 -10.811 35.672 41.926 1.00 49.47 N ATOM 109 CA GLN 245 -9.408 35.365 41.835 1.00 49.47 C ATOM 110 CB GLN 245 -8.525 36.450 42.471 1.00 49.47 C ATOM 111 CG GLN 245 -8.673 37.834 41.836 1.00 49.47 C ATOM 112 CD GLN 245 -7.831 38.800 42.657 1.00 49.47 C ATOM 113 OE1 GLN 245 -8.333 39.448 43.572 1.00 49.47 O ATOM 114 NE2 GLN 245 -6.510 38.888 42.341 1.00 49.47 N ATOM 115 C GLN 245 -9.100 34.100 42.575 1.00 49.47 C ATOM 116 O GLN 245 -9.671 33.815 43.626 1.00 49.47 O ATOM 117 N SER 246 -8.149 33.315 42.030 1.00 61.48 N ATOM 118 CA SER 246 -7.760 32.069 42.623 1.00 61.48 C ATOM 119 CB SER 246 -6.751 31.278 41.770 1.00 61.48 C ATOM 120 OG SER 246 -6.411 30.060 42.416 1.00 61.48 O ATOM 121 C SER 246 -7.113 32.342 43.941 1.00 61.48 C ATOM 122 O SER 246 -7.285 31.581 44.891 1.00 61.48 O ATOM 123 N SER 247 -6.356 33.451 44.036 1.00 70.97 N ATOM 124 CA SER 247 -5.636 33.772 45.236 1.00 70.97 C ATOM 125 CB SER 247 -4.824 35.072 45.104 1.00 70.97 C ATOM 126 OG SER 247 -3.822 34.939 44.107 1.00 70.97 O ATOM 127 C SER 247 -6.603 33.982 46.360 1.00 70.97 C ATOM 128 O SER 247 -6.370 33.526 47.480 1.00 70.97 O ATOM 129 N SER 248 -7.714 34.692 46.089 1.00 25.00 N ATOM 130 CA SER 248 -8.665 34.984 47.122 1.00 25.00 C ATOM 131 CB SER 248 -9.791 35.920 46.650 1.00 25.00 C ATOM 132 OG SER 248 -9.263 37.194 46.307 1.00 25.00 O ATOM 133 C SER 248 -9.302 33.709 47.576 1.00 25.00 C ATOM 134 O SER 248 -9.572 33.523 48.762 1.00 25.00 O ATOM 135 N LEU 249 -9.555 32.788 46.631 1.00105.30 N ATOM 136 CA LEU 249 -10.208 31.556 46.962 1.00105.30 C ATOM 137 CB LEU 249 -10.421 30.677 45.712 1.00105.30 C ATOM 138 CG LEU 249 -11.360 29.454 45.857 1.00105.30 C ATOM 139 CD1 LEU 249 -11.319 28.602 44.581 1.00105.30 C ATOM 140 CD2 LEU 249 -11.112 28.618 47.121 1.00105.30 C ATOM 141 C LEU 249 -9.321 30.805 47.906 1.00105.30 C ATOM 142 O LEU 249 -9.785 30.286 48.921 1.00105.30 O ATOM 143 N ASN 250 -8.005 30.752 47.618 1.00 97.95 N ATOM 144 CA ASN 250 -7.151 29.928 48.427 1.00 97.95 C ATOM 145 CB ASN 250 -5.693 29.797 47.922 1.00 97.95 C ATOM 146 CG ASN 250 -4.941 31.121 47.966 1.00 97.95 C ATOM 147 OD1 ASN 250 -4.674 31.674 49.031 1.00 97.95 O ATOM 148 ND2 ASN 250 -4.533 31.616 46.767 1.00 97.95 N ATOM 149 C ASN 250 -7.141 30.406 49.840 1.00 97.95 C ATOM 150 O ASN 250 -7.192 29.593 50.761 1.00 97.95 O ATOM 151 N ILE 251 -7.075 31.731 50.065 1.00 75.93 N ATOM 152 CA ILE 251 -7.040 32.165 51.430 1.00 75.93 C ATOM 153 CB ILE 251 -6.782 33.632 51.631 1.00 75.93 C ATOM 154 CG1 ILE 251 -6.391 33.870 53.104 1.00 75.93 C ATOM 155 CG2 ILE 251 -8.015 34.424 51.171 1.00 75.93 C ATOM 156 CD1 ILE 251 -5.728 35.222 53.371 1.00 75.93 C ATOM 157 C ILE 251 -8.348 31.817 52.054 1.00 75.93 C ATOM 158 O ILE 251 -8.409 31.386 53.204 1.00 75.93 O ATOM 159 N HIS 252 -9.439 31.983 51.284 1.00 43.49 N ATOM 160 CA HIS 252 -10.748 31.716 51.797 1.00 43.49 C ATOM 161 ND1 HIS 252 -14.083 32.269 51.857 1.00 43.49 N ATOM 162 CG HIS 252 -13.194 31.445 51.204 1.00 43.49 C ATOM 163 CB HIS 252 -11.836 31.862 50.721 1.00 43.49 C ATOM 164 NE2 HIS 252 -15.073 30.286 51.672 1.00 43.49 N ATOM 165 CD2 HIS 252 -13.814 30.237 51.100 1.00 43.49 C ATOM 166 CE1 HIS 252 -15.190 31.525 52.113 1.00 43.49 C ATOM 167 C HIS 252 -10.785 30.306 52.273 1.00 43.49 C ATOM 168 O HIS 252 -11.235 30.034 53.387 1.00 43.49 O ATOM 169 N MET 253 -10.299 29.367 51.443 1.00 92.51 N ATOM 170 CA MET 253 -10.297 28.000 51.865 1.00 92.51 C ATOM 171 CB MET 253 -10.176 26.990 50.714 1.00 92.51 C ATOM 172 CG MET 253 -8.885 27.111 49.903 1.00 92.51 C ATOM 173 SD MET 253 -8.561 25.693 48.814 1.00 92.51 S ATOM 174 CE MET 253 -10.040 25.936 47.790 1.00 92.51 C ATOM 175 C MET 253 -9.093 27.799 52.769 1.00 92.51 C ATOM 176 O MET 253 -8.885 26.642 53.223 1.00 92.51 O ATOM 177 OXT MET 253 -8.368 28.801 53.019 1.00 92.51 O