EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:35 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.7090 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 57.143 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1028.04053 REMARK 6 GA341 score: 0.92903 REMARK 6 Normalized DOPE score: -0.70933 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 57.1% ATOM 1 N GLU 399 -13.778 40.324 43.808 1.00 37.07 N ATOM 2 CA GLU 399 -14.824 39.329 44.136 1.00 37.07 C ATOM 3 CB GLU 399 -14.690 38.093 43.218 1.00 37.07 C ATOM 4 CG GLU 399 -15.917 37.174 43.249 1.00 37.07 C ATOM 5 CD GLU 399 -15.714 36.005 42.286 1.00 37.07 C ATOM 6 OE1 GLU 399 -15.935 36.193 41.060 1.00 37.07 O ATOM 7 OE2 GLU 399 -15.345 34.900 42.766 1.00 37.07 O ATOM 8 C GLU 399 -14.646 38.911 45.558 1.00 37.07 C ATOM 9 O GLU 399 -13.532 38.931 46.078 1.00 37.07 O ATOM 10 N LYS 400 -15.750 38.561 46.249 1.00 95.03 N ATOM 11 CA LYS 400 -15.616 38.135 47.611 1.00 95.03 C ATOM 12 CB LYS 400 -16.494 38.979 48.546 1.00 95.03 C ATOM 13 CG LYS 400 -16.177 40.476 48.426 1.00 95.03 C ATOM 14 CD LYS 400 -17.223 41.406 49.047 1.00 95.03 C ATOM 15 CE LYS 400 -18.652 41.085 48.606 1.00 95.03 C ATOM 16 NZ LYS 400 -19.600 42.080 49.163 1.00 95.03 N ATOM 17 C LYS 400 -16.067 36.706 47.647 1.00 95.03 C ATOM 18 O LYS 400 -17.224 36.388 47.926 1.00 95.03 O ATOM 19 N PRO 401 -15.130 35.841 47.365 1.00121.97 N ATOM 20 CA PRO 401 -15.325 34.421 47.226 1.00121.97 C ATOM 21 CD PRO 401 -13.751 36.246 47.137 1.00121.97 C ATOM 22 CB PRO 401 -13.984 33.878 46.724 1.00121.97 C ATOM 23 CG PRO 401 -12.954 34.937 47.160 1.00121.97 C ATOM 24 C PRO 401 -15.820 33.642 48.408 1.00121.97 C ATOM 25 O PRO 401 -16.567 32.687 48.197 1.00121.97 O ATOM 26 N PHE 402 -15.433 33.997 49.645 1.00120.28 N ATOM 27 CA PHE 402 -15.817 33.137 50.728 1.00120.28 C ATOM 28 CB PHE 402 -14.660 32.815 51.690 1.00120.28 C ATOM 29 CG PHE 402 -13.788 31.861 50.934 1.00120.28 C ATOM 30 CD1 PHE 402 -12.780 32.313 50.115 1.00120.28 C ATOM 31 CD2 PHE 402 -13.992 30.504 51.028 1.00120.28 C ATOM 32 CE1 PHE 402 -11.988 31.436 49.412 1.00120.28 C ATOM 33 CE2 PHE 402 -13.202 29.619 50.329 1.00120.28 C ATOM 34 CZ PHE 402 -12.190 30.082 49.521 1.00120.28 C ATOM 35 C PHE 402 -16.975 33.715 51.466 1.00120.28 C ATOM 36 O PHE 402 -16.984 34.890 51.828 1.00120.28 O ATOM 37 N THR 403 -17.997 32.865 51.701 1.00105.22 N ATOM 38 CA THR 403 -19.211 33.287 52.333 1.00105.22 C ATOM 39 CB THR 403 -20.432 32.921 51.550 1.00105.22 C ATOM 40 OG1 THR 403 -21.589 33.391 52.221 1.00105.22 O ATOM 41 CG2 THR 403 -20.492 31.392 51.427 1.00105.22 C ATOM 42 C THR 403 -19.346 32.613 53.659 1.00105.22 C ATOM 43 O THR 403 -19.068 31.424 53.800 1.00105.22 O ATOM 44 N CYS 404 -19.767 33.381 54.682 1.00 42.82 N ATOM 45 CA CYS 404 -19.984 32.831 55.988 1.00 42.82 C ATOM 46 CB CYS 404 -20.090 33.912 57.074 1.00 42.82 C ATOM 47 SG CYS 404 -20.394 33.223 58.727 1.00 42.82 S ATOM 48 C CYS 404 -21.280 32.097 55.945 1.00 42.82 C ATOM 49 O CYS 404 -22.294 32.636 55.507 1.00 42.82 O ATOM 50 N THR 405 -21.289 30.838 56.417 1.00 37.05 N ATOM 51 CA THR 405 -22.488 30.059 56.331 1.00 37.05 C ATOM 52 CB THR 405 -22.311 28.646 56.805 1.00 37.05 C ATOM 53 OG1 THR 405 -21.316 27.986 56.036 1.00 37.05 O ATOM 54 CG2 THR 405 -23.659 27.923 56.651 1.00 37.05 C ATOM 55 C THR 405 -23.556 30.672 57.174 1.00 37.05 C ATOM 56 O THR 405 -24.712 30.749 56.761 1.00 37.05 O ATOM 57 N GLN 406 -23.202 31.090 58.403 1.00140.15 N ATOM 58 CA GLN 406 -24.214 31.574 59.294 1.00140.15 C ATOM 59 CB GLN 406 -23.677 31.744 60.727 1.00140.15 C ATOM 60 CG GLN 406 -23.153 30.448 61.358 1.00140.15 C ATOM 61 CD GLN 406 -24.332 29.521 61.656 1.00140.15 C ATOM 62 OE1 GLN 406 -25.496 29.880 61.486 1.00140.15 O ATOM 63 NE2 GLN 406 -24.026 28.279 62.116 1.00140.15 N ATOM 64 C GLN 406 -24.789 32.899 58.871 1.00140.15 C ATOM 65 O GLN 406 -26.002 33.015 58.696 1.00140.15 O ATOM 66 N CYS 407 -23.923 33.927 58.722 1.00 94.56 N ATOM 67 CA CYS 407 -24.313 35.281 58.407 1.00 94.56 C ATOM 68 CB CYS 407 -23.182 36.287 58.677 1.00 94.56 C ATOM 69 SG CYS 407 -23.655 37.979 58.219 1.00 94.56 S ATOM 70 C CYS 407 -24.711 35.457 56.975 1.00 94.56 C ATOM 71 O CYS 407 -25.733 36.074 56.672 1.00 94.56 O ATOM 72 N GLY 408 -23.900 34.907 56.051 1.00 27.67 N ATOM 73 CA GLY 408 -24.119 35.103 54.648 1.00 27.67 C ATOM 74 C GLY 408 -23.213 36.207 54.163 1.00 27.67 C ATOM 75 O GLY 408 -23.201 36.519 52.973 1.00 27.67 O ATOM 76 N LYS 409 -22.434 36.831 55.075 1.00 61.82 N ATOM 77 CA LYS 409 -21.527 37.895 54.724 1.00 61.82 C ATOM 78 CB LYS 409 -20.987 38.623 55.971 1.00 61.82 C ATOM 79 CG LYS 409 -20.293 39.960 55.713 1.00 61.82 C ATOM 80 CD LYS 409 -20.124 40.783 56.994 1.00 61.82 C ATOM 81 CE LYS 409 -19.325 42.079 56.820 1.00 61.82 C ATOM 82 NZ LYS 409 -19.095 42.719 58.136 1.00 61.82 N ATOM 83 C LYS 409 -20.378 37.288 53.976 1.00 61.82 C ATOM 84 O LYS 409 -19.956 36.171 54.278 1.00 61.82 O ATOM 85 N SER 410 -19.841 38.005 52.962 1.00 95.86 N ATOM 86 CA SER 410 -18.780 37.422 52.181 1.00 95.86 C ATOM 87 CB SER 410 -19.112 37.325 50.685 1.00 95.86 C ATOM 88 OG SER 410 -19.486 38.601 50.196 1.00 95.86 O ATOM 89 C SER 410 -17.521 38.220 52.347 1.00 95.86 C ATOM 90 O SER 410 -17.558 39.424 52.596 1.00 95.86 O ATOM 91 N PHE 411 -16.359 37.543 52.221 1.00145.87 N ATOM 92 CA PHE 411 -15.096 38.194 52.428 1.00145.87 C ATOM 93 CB PHE 411 -14.405 37.750 53.737 1.00145.87 C ATOM 94 CG PHE 411 -15.209 38.292 54.877 1.00145.87 C ATOM 95 CD1 PHE 411 -16.259 37.576 55.407 1.00145.87 C ATOM 96 CD2 PHE 411 -14.918 39.530 55.406 1.00145.87 C ATOM 97 CE1 PHE 411 -17.001 38.079 56.450 1.00145.87 C ATOM 98 CE2 PHE 411 -15.654 40.044 56.451 1.00145.87 C ATOM 99 CZ PHE 411 -16.697 39.314 56.974 1.00145.87 C ATOM 100 C PHE 411 -14.169 37.890 51.288 1.00145.87 C ATOM 101 O PHE 411 -14.319 36.896 50.580 1.00145.87 O ATOM 102 N SER 412 -13.194 38.797 51.072 1.00 37.09 N ATOM 103 CA SER 412 -12.202 38.667 50.045 1.00 37.09 C ATOM 104 CB SER 412 -11.390 39.955 49.847 1.00 37.09 C ATOM 105 OG SER 412 -10.643 40.231 51.023 1.00 37.09 O ATOM 106 C SER 412 -11.232 37.591 50.424 1.00 37.09 C ATOM 107 O SER 412 -10.677 36.921 49.554 1.00 37.09 O ATOM 108 N GLN 413 -11.005 37.382 51.739 1.00 45.31 N ATOM 109 CA GLN 413 -9.985 36.441 52.112 1.00 45.31 C ATOM 110 CB GLN 413 -8.803 37.139 52.798 1.00 45.31 C ATOM 111 CG GLN 413 -8.213 38.233 51.906 1.00 45.31 C ATOM 112 CD GLN 413 -7.139 38.983 52.674 1.00 45.31 C ATOM 113 OE1 GLN 413 -6.177 38.393 53.164 1.00 45.31 O ATOM 114 NE2 GLN 413 -7.307 40.327 52.790 1.00 45.31 N ATOM 115 C GLN 413 -10.549 35.426 53.062 1.00 45.31 C ATOM 116 O GLN 413 -11.419 35.727 53.874 1.00 45.31 O ATOM 117 N SER 414 -10.059 34.172 52.966 1.00 34.16 N ATOM 118 CA SER 414 -10.530 33.106 53.808 1.00 34.16 C ATOM 119 CB SER 414 -10.033 31.716 53.383 1.00 34.16 C ATOM 120 OG SER 414 -10.684 31.306 52.190 1.00 34.16 O ATOM 121 C SER 414 -10.105 33.313 55.227 1.00 34.16 C ATOM 122 O SER 414 -10.855 33.007 56.152 1.00 34.16 O ATOM 123 N SER 415 -8.892 33.846 55.449 1.00 59.10 N ATOM 124 CA SER 415 -8.437 33.997 56.800 1.00 59.10 C ATOM 125 CB SER 415 -6.987 34.516 56.884 1.00 59.10 C ATOM 126 OG SER 415 -6.555 34.570 58.237 1.00 59.10 O ATOM 127 C SER 415 -9.342 34.969 57.494 1.00 59.10 C ATOM 128 O SER 415 -9.633 34.830 58.682 1.00 59.10 O ATOM 129 N SER 416 -9.820 35.986 56.753 1.00 59.95 N ATOM 130 CA SER 416 -10.679 36.972 57.339 1.00 59.95 C ATOM 131 CB SER 416 -11.033 38.110 56.370 1.00 59.95 C ATOM 132 OG SER 416 -11.897 39.043 57.003 1.00 59.95 O ATOM 133 C SER 416 -11.959 36.312 57.731 1.00 59.95 C ATOM 134 O SER 416 -12.522 36.607 58.783 1.00 59.95 O ATOM 135 N LEU 417 -12.445 35.389 56.882 1.00106.18 N ATOM 136 CA LEU 417 -13.681 34.714 57.139 1.00106.18 C ATOM 137 CB LEU 417 -14.079 33.786 55.969 1.00106.18 C ATOM 138 CG LEU 417 -15.513 33.208 56.005 1.00106.18 C ATOM 139 CD1 LEU 417 -15.769 32.307 54.783 1.00106.18 C ATOM 140 CD2 LEU 417 -15.823 32.482 57.324 1.00106.18 C ATOM 141 C LEU 417 -13.485 33.919 58.396 1.00106.18 C ATOM 142 O LEU 417 -14.385 33.823 59.227 1.00106.18 O ATOM 143 N ASN 418 -12.283 33.340 58.583 1.00 55.03 N ATOM 144 CA ASN 418 -12.021 32.571 59.770 1.00 55.03 C ATOM 145 CB ASN 418 -10.571 32.043 59.885 1.00 55.03 C ATOM 146 CG ASN 418 -10.405 30.701 59.181 1.00 55.03 C ATOM 147 OD1 ASN 418 -10.812 30.518 58.036 1.00 55.03 O ATOM 148 ND2 ASN 418 -9.778 29.730 59.899 1.00 55.03 N ATOM 149 C ASN 418 -12.205 33.440 60.970 1.00 55.03 C ATOM 150 O ASN 418 -12.790 32.999 61.959 1.00 55.03 O ATOM 151 N HIS 419 -11.722 34.698 60.898 1.00 69.86 N ATOM 152 CA HIS 419 -11.719 35.616 62.006 1.00 69.86 C ATOM 153 ND1 HIS 419 -14.530 37.494 62.650 1.00 69.86 N ATOM 154 CG HIS 419 -14.184 36.186 62.400 1.00 69.86 C ATOM 155 CB HIS 419 -12.942 35.540 62.940 1.00 69.86 C ATOM 156 NE2 HIS 419 -16.150 36.637 61.392 1.00 69.86 N ATOM 157 CD2 HIS 419 -15.181 35.677 61.627 1.00 69.86 C ATOM 158 CE1 HIS 419 -15.714 37.711 62.024 1.00 69.86 C ATOM 159 C HIS 419 -10.479 35.290 62.830 1.00 69.86 C ATOM 160 O HIS 419 -10.614 34.523 63.819 1.00 69.86 O ATOM 161 OXT HIS 419 -9.379 35.794 62.474 1.00 69.86 O