EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:07 REMARK 6 MODELLER OBJECTIVE FUNCTION: 116.4999 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 57.692 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1496.40881 REMARK 6 GA341 score: 0.99950 REMARK 6 Normalized DOPE score: -0.70096 REMARK 6 TEMPLATE: 2i13A02 75:A - 100:A MODELS 1: - 26: AT 57.7% ATOM 1 N GLU 203 -14.307 45.767 44.629 1.00 65.85 N ATOM 2 CA GLU 203 -15.612 45.867 45.321 1.00 65.85 C ATOM 3 CB GLU 203 -16.781 45.492 44.393 1.00 65.85 C ATOM 4 CG GLU 203 -17.084 46.468 43.257 1.00 65.85 C ATOM 5 CD GLU 203 -18.247 45.859 42.484 1.00 65.85 C ATOM 6 OE1 GLU 203 -17.990 44.946 41.658 1.00 65.85 O ATOM 7 OE2 GLU 203 -19.411 46.280 42.731 1.00 65.85 O ATOM 8 C GLU 203 -15.667 44.898 46.450 1.00 65.85 C ATOM 9 O GLU 203 -14.910 43.930 46.496 1.00 65.85 O ATOM 10 N LYS 204 -16.562 45.163 47.420 1.00121.70 N ATOM 11 CA LYS 204 -16.751 44.243 48.503 1.00121.70 C ATOM 12 CB LYS 204 -16.240 44.741 49.867 1.00121.70 C ATOM 13 CG LYS 204 -14.727 44.950 49.909 1.00121.70 C ATOM 14 CD LYS 204 -14.259 46.129 49.056 1.00121.70 C ATOM 15 CE LYS 204 -14.879 47.465 49.472 1.00121.70 C ATOM 16 NZ LYS 204 -14.189 48.582 48.787 1.00121.70 N ATOM 17 C LYS 204 -18.224 44.060 48.653 1.00121.70 C ATOM 18 O LYS 204 -18.928 44.898 49.221 1.00121.70 O ATOM 19 N PRO 205 -18.692 42.979 48.113 1.00108.59 N ATOM 20 CA PRO 205 -20.097 42.696 48.187 1.00108.59 C ATOM 21 CD PRO 205 -18.126 42.546 46.848 1.00108.59 C ATOM 22 CB PRO 205 -20.388 41.699 47.067 1.00108.59 C ATOM 23 CG PRO 205 -19.309 42.021 46.019 1.00108.59 C ATOM 24 C PRO 205 -20.608 42.270 49.529 1.00108.59 C ATOM 25 O PRO 205 -21.819 42.344 49.727 1.00108.59 O ATOM 26 N CYS 206 -19.752 41.815 50.469 1.00 47.04 N ATOM 27 CA CYS 206 -20.320 41.327 51.700 1.00 47.04 C ATOM 28 CB CYS 206 -19.643 40.059 52.253 1.00 47.04 C ATOM 29 SG CYS 206 -19.841 38.629 51.148 1.00 47.04 S ATOM 30 C CYS 206 -20.228 42.387 52.752 1.00 47.04 C ATOM 31 O CYS 206 -19.138 42.833 53.106 1.00 47.04 O ATOM 32 N THR 207 -21.390 42.794 53.306 1.00 33.82 N ATOM 33 CA THR 207 -21.395 43.853 54.275 1.00 33.82 C ATOM 34 CB THR 207 -22.335 44.968 53.921 1.00 33.82 C ATOM 35 OG1 THR 207 -21.974 45.533 52.670 1.00 33.82 O ATOM 36 CG2 THR 207 -22.267 46.037 55.024 1.00 33.82 C ATOM 37 C THR 207 -21.813 43.313 55.607 1.00 33.82 C ATOM 38 O THR 207 -22.709 42.474 55.704 1.00 33.82 O ATOM 39 N CYS 208 -21.134 43.786 56.677 1.00 51.08 N ATOM 40 CA CYS 208 -21.410 43.371 58.027 1.00 51.08 C ATOM 41 CB CYS 208 -20.314 43.790 59.031 1.00 51.08 C ATOM 42 SG CYS 208 -20.657 43.293 60.749 1.00 51.08 S ATOM 43 C CYS 208 -22.685 44.024 58.457 1.00 51.08 C ATOM 44 O CYS 208 -22.862 45.233 58.332 1.00 51.08 O ATOM 45 N THR 209 -23.602 43.221 59.014 1.00118.02 N ATOM 46 CA THR 209 -24.893 43.693 59.406 1.00118.02 C ATOM 47 CB THR 209 -25.692 42.568 59.998 1.00118.02 C ATOM 48 OG1 THR 209 -25.071 42.069 61.174 1.00118.02 O ATOM 49 CG2 THR 209 -25.766 41.446 58.949 1.00118.02 C ATOM 50 C THR 209 -24.742 44.750 60.453 1.00118.02 C ATOM 51 O THR 209 -25.352 45.815 60.369 1.00118.02 O ATOM 52 N GLN 210 -23.935 44.451 61.487 1.00130.50 N ATOM 53 CA GLN 210 -23.794 45.328 62.612 1.00130.50 C ATOM 54 CB GLN 210 -23.141 44.586 63.787 1.00130.50 C ATOM 55 CG GLN 210 -24.012 43.431 64.281 1.00130.50 C ATOM 56 CD GLN 210 -23.258 42.684 65.364 1.00130.50 C ATOM 57 OE1 GLN 210 -23.326 41.459 65.442 1.00130.50 O ATOM 58 NE2 GLN 210 -22.527 43.436 66.229 1.00130.50 N ATOM 59 C GLN 210 -23.007 46.581 62.336 1.00130.50 C ATOM 60 O GLN 210 -23.509 47.688 62.524 1.00130.50 O ATOM 61 N CYS 211 -21.738 46.420 61.901 1.00109.94 N ATOM 62 CA CYS 211 -20.779 47.472 61.664 1.00109.94 C ATOM 63 CB CYS 211 -19.358 46.887 61.541 1.00109.94 C ATOM 64 SG CYS 211 -18.088 48.125 61.173 1.00109.94 S ATOM 65 C CYS 211 -21.050 48.242 60.408 1.00109.94 C ATOM 66 O CYS 211 -21.000 49.470 60.400 1.00109.94 O ATOM 67 N GLY 212 -21.348 47.534 59.300 1.00 28.35 N ATOM 68 CA GLY 212 -21.548 48.189 58.039 1.00 28.35 C ATOM 69 C GLY 212 -20.277 48.116 57.238 1.00 28.35 C ATOM 70 O GLY 212 -20.227 48.618 56.117 1.00 28.35 O ATOM 71 N LYS 213 -19.208 47.491 57.782 1.00 81.80 N ATOM 72 CA LYS 213 -17.964 47.378 57.057 1.00 81.80 C ATOM 73 CB LYS 213 -16.760 46.985 57.943 1.00 81.80 C ATOM 74 CG LYS 213 -15.400 46.955 57.225 1.00 81.80 C ATOM 75 CD LYS 213 -14.197 46.916 58.179 1.00 81.80 C ATOM 76 CE LYS 213 -12.837 46.734 57.491 1.00 81.80 C ATOM 77 NZ LYS 213 -12.196 48.039 57.203 1.00 81.80 N ATOM 78 C LYS 213 -18.130 46.322 56.000 1.00 81.80 C ATOM 79 O LYS 213 -18.803 45.317 56.225 1.00 81.80 O ATOM 80 N SER 214 -17.498 46.512 54.814 1.00 58.61 N ATOM 81 CA SER 214 -17.688 45.569 53.739 1.00 58.61 C ATOM 82 CB SER 214 -18.214 46.206 52.438 1.00 58.61 C ATOM 83 OG SER 214 -19.533 46.695 52.646 1.00 58.61 O ATOM 84 C SER 214 -16.395 44.868 53.449 1.00 58.61 C ATOM 85 O SER 214 -15.317 45.396 53.709 1.00 58.61 O ATOM 86 N PHE 215 -16.495 43.628 52.916 1.00157.25 N ATOM 87 CA PHE 215 -15.339 42.816 52.674 1.00157.25 C ATOM 88 CB PHE 215 -15.228 41.636 53.664 1.00157.25 C ATOM 89 CG PHE 215 -14.848 42.182 55.000 1.00157.25 C ATOM 90 CD1 PHE 215 -15.800 42.644 55.874 1.00157.25 C ATOM 91 CD2 PHE 215 -13.522 42.242 55.359 1.00157.25 C ATOM 92 CE1 PHE 215 -15.431 43.145 57.099 1.00157.25 C ATOM 93 CE2 PHE 215 -13.145 42.743 56.584 1.00157.25 C ATOM 94 CZ PHE 215 -14.104 43.198 57.456 1.00157.25 C ATOM 95 C PHE 215 -15.402 42.243 51.293 1.00157.25 C ATOM 96 O PHE 215 -16.472 42.042 50.723 1.00157.25 O ATOM 97 N SER 216 -14.210 41.997 50.714 1.00 75.94 N ATOM 98 CA SER 216 -14.062 41.409 49.415 1.00 75.94 C ATOM 99 CB SER 216 -12.615 41.482 48.895 1.00 75.94 C ATOM 100 OG SER 216 -12.528 40.877 47.614 1.00 75.94 O ATOM 101 C SER 216 -14.427 39.957 49.481 1.00 75.94 C ATOM 102 O SER 216 -14.933 39.398 48.507 1.00 75.94 O ATOM 103 N GLN 217 -14.182 39.300 50.635 1.00 74.50 N ATOM 104 CA GLN 217 -14.406 37.880 50.697 1.00 74.50 C ATOM 105 CB GLN 217 -13.114 37.089 50.969 1.00 74.50 C ATOM 106 CG GLN 217 -12.073 37.183 49.847 1.00 74.50 C ATOM 107 CD GLN 217 -12.296 36.042 48.863 1.00 74.50 C ATOM 108 OE1 GLN 217 -12.490 34.895 49.263 1.00 74.50 O ATOM 109 NE2 GLN 217 -12.257 36.361 47.541 1.00 74.50 N ATOM 110 C GLN 217 -15.365 37.536 51.797 1.00 74.50 C ATOM 111 O GLN 217 -15.370 38.143 52.866 1.00 74.50 O ATOM 112 N SER 218 -16.206 36.512 51.542 1.00 28.90 N ATOM 113 CA SER 218 -17.195 36.062 52.477 1.00 28.90 C ATOM 114 CB SER 218 -18.094 34.944 51.919 1.00 28.90 C ATOM 115 OG SER 218 -18.881 35.437 50.844 1.00 28.90 O ATOM 116 C SER 218 -16.510 35.508 53.687 1.00 28.90 C ATOM 117 O SER 218 -16.968 35.714 54.810 1.00 28.90 O ATOM 118 N SER 219 -15.385 34.798 53.491 1.00 27.15 N ATOM 119 CA SER 219 -14.710 34.177 54.595 1.00 27.15 C ATOM 120 CB SER 219 -13.466 33.385 54.152 1.00 27.15 C ATOM 121 OG SER 219 -12.488 34.265 53.615 1.00 27.15 O ATOM 122 C SER 219 -14.252 35.221 55.564 1.00 27.15 C ATOM 123 O SER 219 -14.321 35.024 56.778 1.00 27.15 O ATOM 124 N SER 220 -13.752 36.362 55.058 1.00 72.08 N ATOM 125 CA SER 220 -13.251 37.367 55.945 1.00 72.08 C ATOM 126 CB SER 220 -12.505 38.492 55.214 1.00 72.08 C ATOM 127 OG SER 220 -13.410 39.275 54.453 1.00 72.08 O ATOM 128 C SER 220 -14.388 37.975 56.706 1.00 72.08 C ATOM 129 O SER 220 -14.259 38.314 57.881 1.00 72.08 O ATOM 130 N LEU 221 -15.545 38.133 56.042 1.00111.85 N ATOM 131 CA LEU 221 -16.690 38.734 56.658 1.00111.85 C ATOM 132 CB LEU 221 -17.830 38.915 55.634 1.00111.85 C ATOM 133 CG LEU 221 -19.088 39.652 56.128 1.00111.85 C ATOM 134 CD1 LEU 221 -19.875 38.811 57.145 1.00111.85 C ATOM 135 CD2 LEU 221 -18.745 41.065 56.627 1.00111.85 C ATOM 136 C LEU 221 -17.144 37.854 57.787 1.00111.85 C ATOM 137 O LEU 221 -17.432 38.331 58.884 1.00111.85 O ATOM 138 N LYS 222 -17.169 36.526 57.566 1.00108.12 N ATOM 139 CA LYS 222 -17.669 35.607 58.552 1.00108.12 C ATOM 140 CB LYS 222 -17.725 34.150 58.050 1.00108.12 C ATOM 141 CG LYS 222 -16.356 33.508 57.816 1.00108.12 C ATOM 142 CD LYS 222 -16.425 32.018 57.473 1.00108.12 C ATOM 143 CE LYS 222 -16.849 31.146 58.653 1.00108.12 C ATOM 144 NZ LYS 222 -16.886 29.730 58.234 1.00108.12 N ATOM 145 C LYS 222 -16.820 35.670 59.784 1.00108.12 C ATOM 146 O LYS 222 -17.337 35.654 60.900 1.00108.12 O ATOM 147 N HIS 223 -15.488 35.753 59.608 1.00 60.09 N ATOM 148 CA HIS 223 -14.565 35.831 60.704 1.00 60.09 C ATOM 149 ND1 HIS 223 -10.779 35.328 61.007 1.00 60.09 N ATOM 150 CG HIS 223 -12.071 35.720 61.271 1.00 60.09 C ATOM 151 CB HIS 223 -13.113 35.863 60.207 1.00 60.09 C ATOM 152 NE2 HIS 223 -10.895 35.694 63.195 1.00 60.09 N ATOM 153 CD2 HIS 223 -12.127 35.939 62.614 1.00 60.09 C ATOM 154 CE1 HIS 223 -10.119 35.329 62.191 1.00 60.09 C ATOM 155 C HIS 223 -14.830 37.110 61.444 1.00 60.09 C ATOM 156 O HIS 223 -14.816 37.145 62.674 1.00 60.09 O ATOM 157 N HIS 224 -15.100 38.195 60.694 1.00 62.35 N ATOM 158 CA HIS 224 -15.329 39.507 61.232 1.00 62.35 C ATOM 159 ND1 HIS 224 -14.753 42.755 61.017 1.00 62.35 N ATOM 160 CG HIS 224 -15.773 41.935 60.584 1.00 62.35 C ATOM 161 CB HIS 224 -15.582 40.525 60.107 1.00 62.35 C ATOM 162 NE2 HIS 224 -16.624 43.952 61.141 1.00 62.35 N ATOM 163 CD2 HIS 224 -16.909 42.683 60.668 1.00 62.35 C ATOM 164 CE1 HIS 224 -15.317 43.948 61.336 1.00 62.35 C ATOM 165 C HIS 224 -16.544 39.487 62.113 1.00 62.35 C ATOM 166 O HIS 224 -16.557 40.094 63.185 1.00 62.35 O ATOM 167 N MET 225 -17.592 38.757 61.699 1.00 71.44 N ATOM 168 CA MET 225 -18.808 38.745 62.464 1.00 71.44 C ATOM 169 CB MET 225 -19.913 37.846 61.873 1.00 71.44 C ATOM 170 CG MET 225 -20.559 38.386 60.591 1.00 71.44 C ATOM 171 SD MET 225 -21.824 37.291 59.872 1.00 71.44 S ATOM 172 CE MET 225 -22.432 38.420 58.582 1.00 71.44 C ATOM 173 C MET 225 -18.489 38.227 63.834 1.00 71.44 C ATOM 174 O MET 225 -19.061 38.671 64.829 1.00 71.44 O ATOM 175 N ARG 226 -17.535 37.285 63.927 1.00135.32 N ATOM 176 CA ARG 226 -17.233 36.692 65.198 1.00135.32 C ATOM 177 CB ARG 226 -16.100 35.648 65.125 1.00135.32 C ATOM 178 CG ARG 226 -15.899 34.849 66.416 1.00135.32 C ATOM 179 CD ARG 226 -14.875 33.720 66.279 1.00135.32 C ATOM 180 NE ARG 226 -13.519 34.308 66.444 1.00135.32 N ATOM 181 CZ ARG 226 -12.418 33.503 66.427 1.00135.32 C ATOM 182 NH1 ARG 226 -12.561 32.158 66.247 1.00135.32 N ATOM 183 NH2 ARG 226 -11.173 34.043 66.578 1.00135.32 N ATOM 184 C ARG 226 -16.829 37.771 66.162 1.00135.32 C ATOM 185 O ARG 226 -17.179 37.708 67.340 1.00135.32 O ATOM 186 N ILE 227 -16.104 38.812 65.700 1.00 72.74 N ATOM 187 CA ILE 227 -15.665 39.830 66.619 1.00 72.74 C ATOM 188 CB ILE 227 -14.910 40.967 65.971 1.00 72.74 C ATOM 189 CG1 ILE 227 -13.499 40.546 65.531 1.00 72.74 C ATOM 190 CG2 ILE 227 -14.907 42.150 66.948 1.00 72.74 C ATOM 191 CD1 ILE 227 -13.470 39.547 64.381 1.00 72.74 C ATOM 192 C ILE 227 -16.863 40.441 67.274 1.00 72.74 C ATOM 193 O ILE 227 -16.876 40.648 68.487 1.00 72.74 O ATOM 194 N HIS 228 -17.906 40.750 66.484 1.00 34.56 N ATOM 195 CA HIS 228 -19.084 41.339 67.045 1.00 34.56 C ATOM 196 ND1 HIS 228 -19.425 44.271 65.326 1.00 34.56 N ATOM 197 CG HIS 228 -19.389 42.913 65.095 1.00 34.56 C ATOM 198 CB HIS 228 -20.043 41.876 65.964 1.00 34.56 C ATOM 199 NE2 HIS 228 -18.203 43.972 63.491 1.00 34.56 N ATOM 200 CD2 HIS 228 -18.639 42.749 63.970 1.00 34.56 C ATOM 201 CE1 HIS 228 -18.700 44.856 64.337 1.00 34.56 C ATOM 202 C HIS 228 -19.807 40.260 67.842 1.00 34.56 C ATOM 203 O HIS 228 -19.245 39.801 68.873 1.00 34.56 O ATOM 204 OXT HIS 228 -20.937 39.883 67.433 1.00 34.56 O