EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:53 REMARK 6 MODELLER OBJECTIVE FUNCTION: 102.2346 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 65.217 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1436.40137 REMARK 6 GA341 score: 0.99996 REMARK 6 Normalized DOPE score: -1.07975 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 65.2% ATOM 1 N GLU 261 -6.388 21.500 50.486 1.00 57.82 N ATOM 2 CA GLU 261 -7.648 21.547 49.707 1.00 57.82 C ATOM 3 CB GLU 261 -8.356 20.186 49.763 1.00 57.82 C ATOM 4 CG GLU 261 -7.549 19.061 49.111 1.00 57.82 C ATOM 5 CD GLU 261 -8.336 17.765 49.239 1.00 57.82 C ATOM 6 OE1 GLU 261 -9.479 17.809 49.766 1.00 57.82 O ATOM 7 OE2 GLU 261 -7.804 16.710 48.801 1.00 57.82 O ATOM 8 C GLU 261 -8.573 22.563 50.291 1.00 57.82 C ATOM 9 O GLU 261 -8.238 23.237 51.263 1.00 57.82 O ATOM 10 N LYS 262 -9.768 22.716 49.694 1.00 89.13 N ATOM 11 CA LYS 262 -10.708 23.665 50.210 1.00 89.13 C ATOM 12 CB LYS 262 -11.132 24.653 49.110 1.00 89.13 C ATOM 13 CG LYS 262 -9.921 25.338 48.471 1.00 89.13 C ATOM 14 CD LYS 262 -10.178 25.912 47.076 1.00 89.13 C ATOM 15 CE LYS 262 -8.893 26.350 46.366 1.00 89.13 C ATOM 16 NZ LYS 262 -8.188 25.165 45.826 1.00 89.13 N ATOM 17 C LYS 262 -11.896 22.862 50.645 1.00 89.13 C ATOM 18 O LYS 262 -12.877 22.684 49.921 1.00 89.13 O ATOM 19 N PRO 263 -11.796 22.377 51.843 1.00125.89 N ATOM 20 CA PRO 263 -12.753 21.501 52.458 1.00125.89 C ATOM 21 CD PRO 263 -10.714 22.752 52.735 1.00125.89 C ATOM 22 CB PRO 263 -12.095 21.063 53.768 1.00125.89 C ATOM 23 CG PRO 263 -11.146 22.226 54.110 1.00125.89 C ATOM 24 C PRO 263 -14.118 22.076 52.700 1.00125.89 C ATOM 25 O PRO 263 -15.068 21.293 52.770 1.00125.89 O ATOM 26 N TYR 264 -14.284 23.404 52.831 1.00 72.82 N ATOM 27 CA TYR 264 -15.598 23.826 53.234 1.00 72.82 C ATOM 28 CB TYR 264 -15.569 24.689 54.506 1.00 72.82 C ATOM 29 CG TYR 264 -15.000 23.786 55.552 1.00 72.82 C ATOM 30 CD1 TYR 264 -15.786 22.825 56.147 1.00 72.82 C ATOM 31 CD2 TYR 264 -13.681 23.885 55.933 1.00 72.82 C ATOM 32 CE1 TYR 264 -15.272 21.984 57.107 1.00 72.82 C ATOM 33 CE2 TYR 264 -13.159 23.046 56.894 1.00 72.82 C ATOM 34 CZ TYR 264 -13.954 22.088 57.478 1.00 72.82 C ATOM 35 OH TYR 264 -13.423 21.225 58.459 1.00 72.82 O ATOM 36 C TYR 264 -16.285 24.548 52.116 1.00 72.82 C ATOM 37 O TYR 264 -15.749 25.492 51.539 1.00 72.82 O ATOM 38 N THR 265 -17.527 24.105 51.812 1.00116.44 N ATOM 39 CA THR 265 -18.282 24.575 50.682 1.00116.44 C ATOM 40 CB THR 265 -18.877 23.438 49.907 1.00116.44 C ATOM 41 OG1 THR 265 -19.856 22.783 50.702 1.00116.44 O ATOM 42 CG2 THR 265 -17.756 22.445 49.558 1.00116.44 C ATOM 43 C THR 265 -19.458 25.379 51.146 1.00116.44 C ATOM 44 O THR 265 -20.149 25.004 52.094 1.00116.44 O ATOM 45 N CYS 266 -19.713 26.526 50.481 1.00 97.29 N ATOM 46 CA CYS 266 -20.872 27.303 50.827 1.00 97.29 C ATOM 47 CB CYS 266 -20.758 28.800 50.488 1.00 97.29 C ATOM 48 SG CYS 266 -20.619 29.112 48.713 1.00 97.29 S ATOM 49 C CYS 266 -22.047 26.734 50.093 1.00 97.29 C ATOM 50 O CYS 266 -21.979 26.437 48.903 1.00 97.29 O ATOM 51 N THR 267 -23.175 26.573 50.803 1.00 42.72 N ATOM 52 CA THR 267 -24.328 25.962 50.216 1.00 42.72 C ATOM 53 CB THR 267 -25.448 25.760 51.191 1.00 42.72 C ATOM 54 OG1 THR 267 -25.031 24.905 52.245 1.00 42.72 O ATOM 55 CG2 THR 267 -26.628 25.131 50.438 1.00 42.72 C ATOM 56 C THR 267 -24.875 26.778 49.090 1.00 42.72 C ATOM 57 O THR 267 -25.229 26.226 48.049 1.00 42.72 O ATOM 58 N LEU 268 -25.017 28.107 49.272 1.00129.15 N ATOM 59 CA LEU 268 -25.675 28.845 48.232 1.00129.15 C ATOM 60 CB LEU 268 -26.147 30.240 48.713 1.00129.15 C ATOM 61 CG LEU 268 -27.133 31.007 47.787 1.00129.15 C ATOM 62 CD1 LEU 268 -27.577 32.326 48.439 1.00129.15 C ATOM 63 CD2 LEU 268 -26.599 31.252 46.364 1.00129.15 C ATOM 64 C LEU 268 -24.841 28.989 46.987 1.00129.15 C ATOM 65 O LEU 268 -25.290 28.632 45.898 1.00129.15 O ATOM 66 N CYS 269 -23.619 29.545 47.122 1.00103.26 N ATOM 67 CA CYS 269 -22.736 29.839 46.021 1.00103.26 C ATOM 68 CB CYS 269 -21.666 30.862 46.439 1.00103.26 C ATOM 69 SG CYS 269 -20.474 31.264 45.136 1.00103.26 S ATOM 70 C CYS 269 -22.053 28.627 45.446 1.00103.26 C ATOM 71 O CYS 269 -21.938 28.490 44.228 1.00103.26 O ATOM 72 N GLY 270 -21.576 27.706 46.310 1.00 26.60 N ATOM 73 CA GLY 270 -20.833 26.557 45.867 1.00 26.60 C ATOM 74 C GLY 270 -19.359 26.859 45.958 1.00 26.60 C ATOM 75 O GLY 270 -18.523 26.027 45.610 1.00 26.60 O ATOM 76 N LYS 271 -18.994 28.064 46.436 1.00 63.36 N ATOM 77 CA LYS 271 -17.612 28.457 46.549 1.00 63.36 C ATOM 78 CB LYS 271 -17.482 29.969 46.827 1.00 63.36 C ATOM 79 CG LYS 271 -16.073 30.570 46.795 1.00 63.36 C ATOM 80 CD LYS 271 -16.082 32.107 46.764 1.00 63.36 C ATOM 81 CE LYS 271 -14.704 32.766 46.886 1.00 63.36 C ATOM 82 NZ LYS 271 -14.860 34.231 47.060 1.00 63.36 N ATOM 83 C LYS 271 -16.997 27.705 47.698 1.00 63.36 C ATOM 84 O LYS 271 -17.652 27.492 48.715 1.00 63.36 O ATOM 85 N SER 272 -15.709 27.299 47.573 1.00 52.67 N ATOM 86 CA SER 272 -15.087 26.533 48.626 1.00 52.67 C ATOM 87 CB SER 272 -14.462 25.213 48.146 1.00 52.67 C ATOM 88 OG SER 272 -15.482 24.305 47.753 1.00 52.67 O ATOM 89 C SER 272 -13.991 27.339 49.261 1.00 52.67 C ATOM 90 O SER 272 -13.374 28.190 48.621 1.00 52.67 O ATOM 91 N PHE 273 -13.717 27.071 50.560 1.00151.84 N ATOM 92 CA PHE 273 -12.746 27.828 51.307 1.00151.84 C ATOM 93 CB PHE 273 -13.388 28.741 52.370 1.00151.84 C ATOM 94 CG PHE 273 -14.156 29.791 51.651 1.00151.84 C ATOM 95 CD1 PHE 273 -15.473 29.587 51.306 1.00151.84 C ATOM 96 CD2 PHE 273 -13.545 30.978 51.319 1.00151.84 C ATOM 97 CE1 PHE 273 -16.178 30.558 50.637 1.00151.84 C ATOM 98 CE2 PHE 273 -14.245 31.953 50.652 1.00151.84 C ATOM 99 CZ PHE 273 -15.559 31.740 50.310 1.00151.84 C ATOM 100 C PHE 273 -11.829 26.908 52.051 1.00151.84 C ATOM 101 O PHE 273 -12.182 25.786 52.406 1.00151.84 O ATOM 102 N SER 274 -10.591 27.390 52.276 1.00 37.09 N ATOM 103 CA SER 274 -9.584 26.682 53.003 1.00 37.09 C ATOM 104 CB SER 274 -8.196 27.328 52.850 1.00 37.09 C ATOM 105 OG SER 274 -8.205 28.639 53.399 1.00 37.09 O ATOM 106 C SER 274 -9.941 26.665 54.463 1.00 37.09 C ATOM 107 O SER 274 -9.597 25.722 55.173 1.00 37.09 O ATOM 108 N GLN 275 -10.641 27.707 54.968 1.00 48.60 N ATOM 109 CA GLN 275 -10.905 27.728 56.386 1.00 48.60 C ATOM 110 CB GLN 275 -10.229 28.898 57.119 1.00 48.60 C ATOM 111 CG GLN 275 -8.706 28.912 57.006 1.00 48.60 C ATOM 112 CD GLN 275 -8.208 30.126 57.779 1.00 48.60 C ATOM 113 OE1 GLN 275 -8.314 30.179 59.001 1.00 48.60 O ATOM 114 NE2 GLN 275 -7.664 31.140 57.047 1.00 48.60 N ATOM 115 C GLN 275 -12.375 27.867 56.643 1.00 48.60 C ATOM 116 O GLN 275 -13.097 28.534 55.902 1.00 48.60 O ATOM 117 N SER 276 -12.845 27.231 57.739 1.00 72.63 N ATOM 118 CA SER 276 -14.227 27.218 58.133 1.00 72.63 C ATOM 119 CB SER 276 -14.503 26.279 59.317 1.00 72.63 C ATOM 120 OG SER 276 -13.789 26.714 60.468 1.00 72.63 O ATOM 121 C SER 276 -14.688 28.586 58.527 1.00 72.63 C ATOM 122 O SER 276 -15.798 28.989 58.180 1.00 72.63 O ATOM 123 N SER 277 -13.860 29.342 59.272 1.00 67.61 N ATOM 124 CA SER 277 -14.273 30.647 59.700 1.00 67.61 C ATOM 125 CB SER 277 -13.302 31.311 60.686 1.00 67.61 C ATOM 126 OG SER 277 -13.278 30.572 61.898 1.00 67.61 O ATOM 127 C SER 277 -14.386 31.544 58.509 1.00 67.61 C ATOM 128 O SER 277 -15.221 32.446 58.491 1.00 67.61 O ATOM 129 N ASN 278 -13.544 31.329 57.482 1.00 34.49 N ATOM 130 CA ASN 278 -13.591 32.154 56.307 1.00 34.49 C ATOM 131 CB ASN 278 -12.494 31.818 55.289 1.00 34.49 C ATOM 132 CG ASN 278 -11.182 32.291 55.887 1.00 34.49 C ATOM 133 OD1 ASN 278 -11.168 33.109 56.806 1.00 34.49 O ATOM 134 ND2 ASN 278 -10.049 31.767 55.349 1.00 34.49 N ATOM 135 C ASN 278 -14.903 31.947 55.622 1.00 34.49 C ATOM 136 O ASN 278 -15.484 32.889 55.082 1.00 34.49 O ATOM 137 N LEU 279 -15.397 30.695 55.621 1.00106.75 N ATOM 138 CA LEU 279 -16.634 30.382 54.971 1.00106.75 C ATOM 139 CB LEU 279 -16.980 28.885 55.088 1.00106.75 C ATOM 140 CG LEU 279 -18.118 28.368 54.178 1.00106.75 C ATOM 141 CD1 LEU 279 -18.465 26.915 54.533 1.00106.75 C ATOM 142 CD2 LEU 279 -19.354 29.278 54.153 1.00106.75 C ATOM 143 C LEU 279 -17.695 31.176 55.671 1.00106.75 C ATOM 144 O LEU 279 -18.574 31.755 55.027 1.00106.75 O ATOM 145 N ASN 280 -17.628 31.260 57.012 1.00 39.41 N ATOM 146 CA ASN 280 -18.633 31.976 57.755 1.00 39.41 C ATOM 147 CB ASN 280 -18.347 32.091 59.264 1.00 39.41 C ATOM 148 CG ASN 280 -18.607 30.759 59.944 1.00 39.41 C ATOM 149 OD1 ASN 280 -19.718 30.231 59.901 1.00 39.41 O ATOM 150 ND2 ASN 280 -17.558 30.199 60.603 1.00 39.41 N ATOM 151 C ASN 280 -18.680 33.394 57.276 1.00 39.41 C ATOM 152 O ASN 280 -19.758 33.951 57.072 1.00 39.41 O ATOM 153 N GLN 281 -17.504 34.016 57.085 1.00 80.27 N ATOM 154 CA GLN 281 -17.444 35.388 56.676 1.00 80.27 C ATOM 155 CB GLN 281 -15.989 35.876 56.557 1.00 80.27 C ATOM 156 CG GLN 281 -15.252 35.837 57.902 1.00 80.27 C ATOM 157 CD GLN 281 -13.776 36.159 57.699 1.00 80.27 C ATOM 158 OE1 GLN 281 -12.984 36.113 58.640 1.00 80.27 O ATOM 159 NE2 GLN 281 -13.387 36.490 56.438 1.00 80.27 N ATOM 160 C GLN 281 -18.104 35.471 55.338 1.00 80.27 C ATOM 161 O GLN 281 -18.833 36.416 55.049 1.00 80.27 O ATOM 162 N HIS 282 -17.862 34.459 54.486 1.00 48.83 N ATOM 163 CA HIS 282 -18.451 34.431 53.180 1.00 48.83 C ATOM 164 ND1 HIS 282 -18.350 33.811 49.922 1.00 48.83 N ATOM 165 CG HIS 282 -18.703 33.080 51.034 1.00 48.83 C ATOM 166 CB HIS 282 -18.024 33.192 52.369 1.00 48.83 C ATOM 167 NE2 HIS 282 -20.052 32.517 49.312 1.00 48.83 N ATOM 168 CD2 HIS 282 -19.746 32.293 50.640 1.00 48.83 C ATOM 169 CE1 HIS 282 -19.186 33.437 48.922 1.00 48.83 C ATOM 170 C HIS 282 -19.936 34.361 53.315 1.00 48.83 C ATOM 171 O HIS 282 -20.659 35.121 52.674 1.00 48.83 O ATOM 172 N MET 283 -20.436 33.448 54.169 1.00 40.00 N ATOM 173 CA MET 283 -21.857 33.324 54.300 1.00 40.00 C ATOM 174 CB MET 283 -22.310 32.277 55.335 1.00 40.00 C ATOM 175 CG MET 283 -22.070 30.837 54.884 1.00 40.00 C ATOM 176 SD MET 283 -22.720 29.583 56.027 1.00 40.00 S ATOM 177 CE MET 283 -22.198 28.163 55.023 1.00 40.00 C ATOM 178 C MET 283 -22.426 34.668 54.725 1.00 40.00 C ATOM 179 O MET 283 -23.315 35.180 53.994 1.00 40.00 O ATOM 180 OXT MET 283 -21.992 35.201 55.782 1.00 40.00 O