EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:40 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.9866 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.091 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1141.11133 REMARK 6 GA341 score: 0.95563 REMARK 6 Normalized DOPE score: -0.40092 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 59.1% ATOM 1 N GLU 231 -27.790 29.269 43.793 1.00 55.23 N ATOM 2 CA GLU 231 -26.830 29.529 44.890 1.00 55.23 C ATOM 3 CB GLU 231 -27.566 29.827 46.203 1.00 55.23 C ATOM 4 CG GLU 231 -28.344 28.621 46.737 1.00 55.23 C ATOM 5 CD GLU 231 -28.919 28.975 48.101 1.00 55.23 C ATOM 6 OE1 GLU 231 -29.986 29.645 48.145 1.00 55.23 O ATOM 7 OE2 GLU 231 -28.295 28.571 49.119 1.00 55.23 O ATOM 8 C GLU 231 -25.992 28.319 45.133 1.00 55.23 C ATOM 9 O GLU 231 -25.818 27.486 44.245 1.00 55.23 O ATOM 10 N LYS 232 -25.434 28.206 46.356 1.00 54.23 N ATOM 11 CA LYS 232 -24.630 27.062 46.678 1.00 54.23 C ATOM 12 CB LYS 232 -23.178 27.445 46.990 1.00 54.23 C ATOM 13 CG LYS 232 -22.500 28.185 45.838 1.00 54.23 C ATOM 14 CD LYS 232 -21.239 28.936 46.262 1.00 54.23 C ATOM 15 CE LYS 232 -20.567 29.693 45.115 1.00 54.23 C ATOM 16 NZ LYS 232 -19.462 30.524 45.639 1.00 54.23 N ATOM 17 C LYS 232 -25.196 26.458 47.928 1.00 54.23 C ATOM 18 O LYS 232 -24.935 26.924 49.035 1.00 54.23 O ATOM 19 N PRO 233 -25.980 25.431 47.766 1.00105.44 N ATOM 20 CA PRO 233 -26.593 24.792 48.901 1.00105.44 C ATOM 21 CD PRO 233 -26.825 25.357 46.584 1.00105.44 C ATOM 22 CB PRO 233 -27.741 23.956 48.338 1.00105.44 C ATOM 23 CG PRO 233 -28.129 24.690 47.045 1.00105.44 C ATOM 24 C PRO 233 -25.688 24.004 49.798 1.00105.44 C ATOM 25 O PRO 233 -26.029 23.841 50.969 1.00105.44 O ATOM 26 N PHE 234 -24.543 23.496 49.304 1.00 61.84 N ATOM 27 CA PHE 234 -23.782 22.634 50.166 1.00 61.84 C ATOM 28 CB PHE 234 -23.309 21.338 49.481 1.00 61.84 C ATOM 29 CG PHE 234 -24.528 20.500 49.289 1.00 61.84 C ATOM 30 CD1 PHE 234 -24.917 19.613 50.266 1.00 61.84 C ATOM 31 CD2 PHE 234 -25.293 20.607 48.149 1.00 61.84 C ATOM 32 CE1 PHE 234 -26.041 18.837 50.106 1.00 61.84 C ATOM 33 CE2 PHE 234 -26.419 19.834 47.986 1.00 61.84 C ATOM 34 CZ PHE 234 -26.796 18.945 48.964 1.00 61.84 C ATOM 35 C PHE 234 -22.589 23.356 50.700 1.00 61.84 C ATOM 36 O PHE 234 -21.826 23.963 49.951 1.00 61.84 O ATOM 37 N THR 235 -22.400 23.286 52.037 1.00 32.12 N ATOM 38 CA THR 235 -21.315 23.977 52.675 1.00 32.12 C ATOM 39 CB THR 235 -21.761 24.921 53.754 1.00 32.12 C ATOM 40 OG1 THR 235 -22.634 25.906 53.223 1.00 32.12 O ATOM 41 CG2 THR 235 -20.520 25.589 54.367 1.00 32.12 C ATOM 42 C THR 235 -20.399 22.987 53.331 1.00 32.12 C ATOM 43 O THR 235 -20.836 22.011 53.940 1.00 32.12 O ATOM 44 N CYS 236 -19.079 23.233 53.197 1.00 37.83 N ATOM 45 CA CYS 236 -18.075 22.395 53.786 1.00 37.83 C ATOM 46 CB CYS 236 -16.680 22.622 53.180 1.00 37.83 C ATOM 47 SG CYS 236 -15.400 21.572 53.927 1.00 37.83 S ATOM 48 C CYS 236 -18.000 22.733 55.238 1.00 37.83 C ATOM 49 O CYS 236 -17.967 23.901 55.619 1.00 37.83 O ATOM 50 N THR 237 -17.966 21.704 56.101 1.00 39.54 N ATOM 51 CA THR 237 -17.927 21.953 57.511 1.00 39.54 C ATOM 52 CB THR 237 -18.028 20.695 58.317 1.00 39.54 C ATOM 53 OG1 THR 237 -19.231 20.010 58.004 1.00 39.54 O ATOM 54 CG2 THR 237 -18.019 21.074 59.807 1.00 39.54 C ATOM 55 C THR 237 -16.637 22.622 57.889 1.00 39.54 C ATOM 56 O THR 237 -16.627 23.531 58.720 1.00 39.54 O ATOM 57 N GLN 238 -15.502 22.161 57.325 1.00106.41 N ATOM 58 CA GLN 238 -14.245 22.704 57.764 1.00106.41 C ATOM 59 CB GLN 238 -13.036 21.923 57.221 1.00106.41 C ATOM 60 CG GLN 238 -12.931 20.487 57.735 1.00106.41 C ATOM 61 CD GLN 238 -11.669 19.885 57.138 1.00106.41 C ATOM 62 OE1 GLN 238 -10.755 20.607 56.742 1.00106.41 O ATOM 63 NE2 GLN 238 -11.613 18.528 57.067 1.00106.41 N ATOM 64 C GLN 238 -14.019 24.135 57.360 1.00106.41 C ATOM 65 O GLN 238 -13.849 25.006 58.213 1.00106.41 O ATOM 66 N CYS 239 -13.985 24.396 56.035 1.00 61.13 N ATOM 67 CA CYS 239 -13.697 25.699 55.495 1.00 61.13 C ATOM 68 CB CYS 239 -13.185 25.639 54.046 1.00 61.13 C ATOM 69 SG CYS 239 -14.373 24.865 52.914 1.00 61.13 S ATOM 70 C CYS 239 -14.878 26.623 55.554 1.00 61.13 C ATOM 71 O CYS 239 -14.728 27.815 55.816 1.00 61.13 O ATOM 72 N GLY 240 -16.092 26.095 55.303 1.00 26.21 N ATOM 73 CA GLY 240 -17.262 26.927 55.289 1.00 26.21 C ATOM 74 C GLY 240 -17.537 27.362 53.878 1.00 26.21 C ATOM 75 O GLY 240 -18.436 28.169 53.641 1.00 26.21 O ATOM 76 N LYS 241 -16.761 26.849 52.899 1.00 97.10 N ATOM 77 CA LYS 241 -16.977 27.224 51.527 1.00 97.10 C ATOM 78 CB LYS 241 -15.766 26.940 50.617 1.00 97.10 C ATOM 79 CG LYS 241 -15.929 27.424 49.173 1.00 97.10 C ATOM 80 CD LYS 241 -14.596 27.650 48.448 1.00 97.10 C ATOM 81 CE LYS 241 -13.575 26.524 48.621 1.00 97.10 C ATOM 82 NZ LYS 241 -12.345 26.840 47.860 1.00 97.10 N ATOM 83 C LYS 241 -18.180 26.492 51.015 1.00 97.10 C ATOM 84 O LYS 241 -18.454 25.362 51.418 1.00 97.10 O ATOM 85 N SER 242 -18.937 27.137 50.101 1.00 53.36 N ATOM 86 CA SER 242 -20.159 26.553 49.625 1.00 53.36 C ATOM 87 CB SER 242 -21.361 27.506 49.732 1.00 53.36 C ATOM 88 OG SER 242 -21.614 27.818 51.094 1.00 53.36 O ATOM 89 C SER 242 -20.006 26.186 48.180 1.00 53.36 C ATOM 90 O SER 242 -19.235 26.805 47.448 1.00 53.36 O ATOM 91 N PHE 243 -20.755 25.149 47.741 1.00146.51 N ATOM 92 CA PHE 243 -20.653 24.662 46.392 1.00146.51 C ATOM 93 CB PHE 243 -19.962 23.292 46.297 1.00146.51 C ATOM 94 CG PHE 243 -18.531 23.493 46.649 1.00146.51 C ATOM 95 CD1 PHE 243 -18.124 23.481 47.963 1.00146.51 C ATOM 96 CD2 PHE 243 -17.598 23.712 45.663 1.00146.51 C ATOM 97 CE1 PHE 243 -16.801 23.671 48.288 1.00146.51 C ATOM 98 CE2 PHE 243 -16.273 23.902 45.980 1.00146.51 C ATOM 99 CZ PHE 243 -15.872 23.879 47.295 1.00146.51 C ATOM 100 C PHE 243 -22.018 24.491 45.806 1.00146.51 C ATOM 101 O PHE 243 -23.007 24.297 46.511 1.00146.51 O ATOM 102 N SER 244 -22.086 24.593 44.465 1.00 84.74 N ATOM 103 CA SER 244 -23.297 24.441 43.713 1.00 84.74 C ATOM 104 CB SER 244 -23.127 24.851 42.241 1.00 84.74 C ATOM 105 OG SER 244 -22.755 26.217 42.154 1.00 84.74 O ATOM 106 C SER 244 -23.695 22.997 43.700 1.00 84.74 C ATOM 107 O SER 244 -24.880 22.682 43.598 1.00 84.74 O ATOM 108 N GLN 245 -22.717 22.073 43.798 1.00121.67 N ATOM 109 CA GLN 245 -23.059 20.685 43.655 1.00121.67 C ATOM 110 CB GLN 245 -22.445 20.066 42.387 1.00121.67 C ATOM 111 CG GLN 245 -22.906 18.638 42.092 1.00121.67 C ATOM 112 CD GLN 245 -24.083 18.687 41.124 1.00121.67 C ATOM 113 OE1 GLN 245 -25.183 18.229 41.430 1.00121.67 O ATOM 114 NE2 GLN 245 -23.838 19.245 39.909 1.00121.67 N ATOM 115 C GLN 245 -22.525 19.896 44.817 1.00121.67 C ATOM 116 O GLN 245 -21.427 20.148 45.309 1.00121.67 O ATOM 117 N SER 246 -23.310 18.894 45.267 1.00 68.70 N ATOM 118 CA SER 246 -22.940 18.048 46.366 1.00 68.70 C ATOM 119 CB SER 246 -24.055 17.060 46.762 1.00 68.70 C ATOM 120 OG SER 246 -24.311 16.154 45.699 1.00 68.70 O ATOM 121 C SER 246 -21.732 17.251 45.984 1.00 68.70 C ATOM 122 O SER 246 -20.841 17.033 46.802 1.00 68.70 O ATOM 123 N SER 247 -21.658 16.802 44.718 1.00 65.40 N ATOM 124 CA SER 247 -20.558 15.984 44.291 1.00 65.40 C ATOM 125 CB SER 247 -20.696 15.527 42.829 1.00 65.40 C ATOM 126 OG SER 247 -21.842 14.702 42.683 1.00 65.40 O ATOM 127 C SER 247 -19.287 16.772 44.397 1.00 65.40 C ATOM 128 O SER 247 -18.260 16.245 44.823 1.00 65.40 O ATOM 129 N SER 248 -19.334 18.064 44.014 1.00 63.97 N ATOM 130 CA SER 248 -18.168 18.903 44.015 1.00 63.97 C ATOM 131 CB SER 248 -18.436 20.309 43.457 1.00 63.97 C ATOM 132 OG SER 248 -17.241 21.077 43.483 1.00 63.97 O ATOM 133 C SER 248 -17.692 19.092 45.416 1.00 63.97 C ATOM 134 O SER 248 -16.491 19.096 45.679 1.00 63.97 O ATOM 135 N LEU 249 -18.632 19.250 46.359 1.00 98.19 N ATOM 136 CA LEU 249 -18.249 19.479 47.716 1.00 98.19 C ATOM 137 CB LEU 249 -19.471 19.713 48.623 1.00 98.19 C ATOM 138 CG LEU 249 -19.135 20.025 50.095 1.00 98.19 C ATOM 139 CD1 LEU 249 -18.610 18.796 50.850 1.00 98.19 C ATOM 140 CD2 LEU 249 -18.182 21.228 50.192 1.00 98.19 C ATOM 141 C LEU 249 -17.502 18.269 48.178 1.00 98.19 C ATOM 142 O LEU 249 -16.489 18.381 48.866 1.00 98.19 O ATOM 143 N ASN 250 -17.974 17.074 47.778 1.00 66.92 N ATOM 144 CA ASN 250 -17.368 15.841 48.192 1.00 66.92 C ATOM 145 CB ASN 250 -18.047 14.619 47.547 1.00 66.92 C ATOM 146 CG ASN 250 -17.349 13.361 48.035 1.00 66.92 C ATOM 147 OD1 ASN 250 -16.197 13.103 47.689 1.00 66.92 O ATOM 148 ND2 ASN 250 -18.067 12.554 48.859 1.00 66.92 N ATOM 149 C ASN 250 -15.942 15.839 47.757 1.00 66.92 C ATOM 150 O ASN 250 -15.050 15.483 48.526 1.00 66.92 O ATOM 151 N ILE 251 -15.686 16.257 46.508 1.00 68.82 N ATOM 152 CA ILE 251 -14.343 16.243 46.021 1.00 68.82 C ATOM 153 CB ILE 251 -14.233 16.701 44.597 1.00 68.82 C ATOM 154 CG1 ILE 251 -14.978 15.734 43.661 1.00 68.82 C ATOM 155 CG2 ILE 251 -12.738 16.854 44.271 1.00 68.82 C ATOM 156 CD1 ILE 251 -14.427 14.310 43.712 1.00 68.82 C ATOM 157 C ILE 251 -13.550 17.181 46.868 1.00 68.82 C ATOM 158 O ILE 251 -12.434 16.858 47.273 1.00 68.82 O ATOM 159 N HIS 252 -14.127 18.363 47.160 1.00 39.81 N ATOM 160 CA HIS 252 -13.496 19.374 47.960 1.00 39.81 C ATOM 161 ND1 HIS 252 -13.135 22.589 48.674 1.00 39.81 N ATOM 162 CG HIS 252 -13.874 21.559 49.213 1.00 39.81 C ATOM 163 CB HIS 252 -14.494 20.454 48.416 1.00 39.81 C ATOM 164 NE2 HIS 252 -13.215 22.944 50.867 1.00 39.81 N ATOM 165 CD2 HIS 252 -13.913 21.793 50.554 1.00 39.81 C ATOM 166 CE1 HIS 252 -12.765 23.387 49.706 1.00 39.81 C ATOM 167 C HIS 252 -12.863 18.748 49.201 1.00 39.81 C ATOM 168 O HIS 252 -13.590 18.093 49.994 1.00 39.81 O ATOM 169 OXT HIS 252 -11.625 18.918 49.362 1.00 39.81 O