EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:07:10 REMARK 6 MODELLER OBJECTIVE FUNCTION: 63.4196 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1288.81055 REMARK 6 GA341 score: 0.90277 REMARK 6 Normalized DOPE score: -0.37633 REMARK 6 TEMPLATE: 1llmC01 104:C - 124:C MODELS 1: - 21: AT 47.6% ATOM 1 N PHE 66 -1.884 43.259 66.219 1.00 36.44 N ATOM 2 CA PHE 66 -1.542 43.471 67.642 1.00 36.44 C ATOM 3 CB PHE 66 -0.029 43.289 67.867 1.00 36.44 C ATOM 4 CG PHE 66 0.321 41.874 67.539 1.00 36.44 C ATOM 5 CD1 PHE 66 0.496 41.492 66.228 1.00 36.44 C ATOM 6 CD2 PHE 66 0.486 40.928 68.527 1.00 36.44 C ATOM 7 CE1 PHE 66 0.823 40.196 65.904 1.00 36.44 C ATOM 8 CE2 PHE 66 0.814 39.629 68.207 1.00 36.44 C ATOM 9 CZ PHE 66 0.982 39.257 66.894 1.00 36.44 C ATOM 10 C PHE 66 -1.922 44.857 68.052 1.00 36.44 C ATOM 11 O PHE 66 -1.556 45.830 67.398 1.00 36.44 O ATOM 12 N THR 67 -2.685 44.976 69.156 1.00101.10 N ATOM 13 CA THR 67 -3.105 46.277 69.582 1.00101.10 C ATOM 14 CB THR 67 -4.593 46.428 69.721 0.50101.10 C ATOM 15 OG1 THR 67 -4.919 47.762 70.090 1.00101.10 O ATOM 16 CG2 THR 67 -5.084 45.433 70.788 1.00101.10 C ATOM 17 C THR 67 -2.540 46.533 70.933 1.00101.10 C ATOM 18 O THR 67 -2.271 45.616 71.706 1.00101.10 O ATOM 19 N CYS 68 -2.331 47.824 71.235 1.00 43.77 N ATOM 20 CA CYS 68 -1.879 48.218 72.533 1.00 43.77 C ATOM 21 CB CYS 68 -1.022 49.497 72.517 1.00 43.77 C ATOM 22 SG CYS 68 -0.476 50.020 74.170 1.00 43.77 S ATOM 23 C CYS 68 -3.129 48.527 73.295 1.00 43.77 C ATOM 24 O CYS 68 -4.007 49.234 72.803 1.00 43.77 O ATOM 25 N THR 69 -3.274 47.972 74.510 1.00108.18 N ATOM 26 CA THR 69 -4.494 48.202 75.227 1.00108.18 C ATOM 27 CB THR 69 -4.653 47.338 76.439 1.00108.18 C ATOM 28 OG1 THR 69 -5.952 47.523 76.984 1.00108.18 O ATOM 29 CG2 THR 69 -3.579 47.721 77.469 1.00108.18 C ATOM 30 C THR 69 -4.605 49.636 75.655 1.00108.18 C ATOM 31 O THR 69 -5.683 50.224 75.579 1.00108.18 O ATOM 32 N GLN 70 -3.507 50.244 76.150 1.00 86.77 N ATOM 33 CA GLN 70 -3.639 51.597 76.617 1.00 86.77 C ATOM 34 CB GLN 70 -2.374 52.110 77.332 1.00 86.77 C ATOM 35 CG GLN 70 -2.082 51.430 78.673 1.00 86.77 C ATOM 36 CD GLN 70 -2.924 52.094 79.758 1.00 86.77 C ATOM 37 OE1 GLN 70 -3.466 51.422 80.633 1.00 86.77 O ATOM 38 NE2 GLN 70 -3.020 53.451 79.721 1.00 86.77 N ATOM 39 C GLN 70 -3.910 52.537 75.479 1.00 86.77 C ATOM 40 O GLN 70 -4.902 53.265 75.488 1.00 86.77 O ATOM 41 N CYS 71 -3.032 52.517 74.459 1.00 87.61 N ATOM 42 CA CYS 71 -3.120 53.395 73.324 1.00 87.61 C ATOM 43 CB CYS 71 -1.857 53.293 72.449 1.00 87.61 C ATOM 44 SG CYS 71 -1.879 54.388 71.000 1.00 87.61 S ATOM 45 C CYS 71 -4.303 53.039 72.474 1.00 87.61 C ATOM 46 O CYS 71 -5.075 53.914 72.088 1.00 87.61 O ATOM 47 N GLY 72 -4.485 51.737 72.169 1.00 22.62 N ATOM 48 CA GLY 72 -5.585 51.312 71.350 1.00 22.62 C ATOM 49 C GLY 72 -5.150 51.262 69.912 1.00 22.62 C ATOM 50 O GLY 72 -5.913 50.851 69.038 1.00 22.62 O ATOM 51 N ARG 73 -3.903 51.674 69.618 1.00120.32 N ATOM 52 CA ARG 73 -3.468 51.642 68.253 1.00120.32 C ATOM 53 CB ARG 73 -2.215 52.504 67.986 1.00120.32 C ATOM 54 CG ARG 73 -1.897 52.699 66.499 1.00120.32 C ATOM 55 CD ARG 73 -1.067 53.957 66.217 1.00120.32 C ATOM 56 NE ARG 73 0.358 53.574 66.006 1.00120.32 N ATOM 57 CZ ARG 73 0.820 53.317 64.745 1.00120.32 C ATOM 58 NH1 ARG 73 -0.028 53.367 63.675 1.00120.32 N ATOM 59 NH2 ARG 73 2.134 53.006 64.552 1.00120.32 N ATOM 60 C ARG 73 -3.189 50.216 67.889 1.00120.32 C ATOM 61 O ARG 73 -2.815 49.401 68.733 1.00120.32 O ATOM 62 N ASN 74 -3.397 49.882 66.599 1.00 39.44 N ATOM 63 CA ASN 74 -3.186 48.546 66.123 1.00 39.44 C ATOM 64 CB ASN 74 -4.321 48.048 65.214 1.00 39.44 C ATOM 65 CG ASN 74 -5.601 48.008 66.033 1.00 39.44 C ATOM 66 OD1 ASN 74 -5.666 47.365 67.079 1.00 39.44 O ATOM 67 ND2 ASN 74 -6.650 48.727 65.551 1.00 39.44 N ATOM 68 C ASN 74 -1.935 48.563 65.305 1.00 39.44 C ATOM 69 O ASN 74 -1.604 49.574 64.687 1.00 39.44 O ATOM 70 N PHE 75 -1.188 47.440 65.293 1.00 57.86 N ATOM 71 CA PHE 75 0.043 47.432 64.560 1.00 57.86 C ATOM 72 CB PHE 75 1.275 47.351 65.471 1.00 57.86 C ATOM 73 CG PHE 75 1.350 48.624 66.234 1.00 57.86 C ATOM 74 CD1 PHE 75 0.632 48.798 67.396 1.00 57.86 C ATOM 75 CD2 PHE 75 2.147 49.646 65.780 1.00 57.86 C ATOM 76 CE1 PHE 75 0.706 49.975 68.102 1.00 57.86 C ATOM 77 CE2 PHE 75 2.225 50.823 66.482 1.00 57.86 C ATOM 78 CZ PHE 75 1.504 50.993 67.640 1.00 57.86 C ATOM 79 C PHE 75 0.088 46.234 63.671 1.00 57.86 C ATOM 80 O PHE 75 -0.425 45.166 64.003 1.00 57.86 O ATOM 81 N GLY 76 0.715 46.412 62.494 1.00 30.97 N ATOM 82 CA GLY 76 0.887 45.371 61.531 1.00 30.97 C ATOM 83 C GLY 76 1.800 44.328 62.095 1.00 30.97 C ATOM 84 O GLY 76 1.643 43.143 61.806 1.00 30.97 O ATOM 85 N ARG 77 2.809 44.742 62.890 1.00145.42 N ATOM 86 CA ARG 77 3.753 43.759 63.333 1.00145.42 C ATOM 87 CB ARG 77 5.168 44.021 62.804 1.00145.42 C ATOM 88 CG ARG 77 5.751 45.346 63.285 1.00145.42 C ATOM 89 CD ARG 77 7.083 45.680 62.618 1.00145.42 C ATOM 90 NE ARG 77 8.015 44.552 62.891 1.00145.42 N ATOM 91 CZ ARG 77 9.280 44.574 62.379 1.00145.42 C ATOM 92 NH1 ARG 77 9.702 45.643 61.643 1.00145.42 N ATOM 93 NH2 ARG 77 10.124 43.525 62.604 1.00145.42 N ATOM 94 C ARG 77 3.827 43.713 64.828 1.00145.42 C ATOM 95 O ARG 77 3.749 44.729 65.519 1.00145.42 O ATOM 96 N LYS 78 3.994 42.482 65.349 1.00 70.69 N ATOM 97 CA LYS 78 4.072 42.195 66.750 1.00 70.69 C ATOM 98 CB LYS 78 4.175 40.685 67.014 1.00 70.69 C ATOM 99 CG LYS 78 5.300 40.021 66.214 1.00 70.69 C ATOM 100 CD LYS 78 5.634 38.600 66.675 1.00 70.69 C ATOM 101 CE LYS 78 6.749 37.944 65.862 1.00 70.69 C ATOM 102 NZ LYS 78 7.059 36.608 66.418 1.00 70.69 N ATOM 103 C LYS 78 5.289 42.840 67.332 1.00 70.69 C ATOM 104 O LYS 78 5.256 43.347 68.452 1.00 70.69 O ATOM 105 N GLY 79 6.408 42.828 66.588 1.00 14.31 N ATOM 106 CA GLY 79 7.624 43.373 67.116 1.00 14.31 C ATOM 107 C GLY 79 7.426 44.829 67.390 1.00 14.31 C ATOM 108 O GLY 79 7.887 45.342 68.409 1.00 14.31 O ATOM 109 N ASN 80 6.749 45.546 66.474 1.00 36.15 N ATOM 110 CA ASN 80 6.549 46.953 66.668 1.00 36.15 C ATOM 111 CB ASN 80 5.939 47.679 65.457 1.00 36.15 C ATOM 112 CG ASN 80 7.063 47.970 64.469 1.00 36.15 C ATOM 113 OD1 ASN 80 8.236 47.743 64.761 1.00 36.15 O ATOM 114 ND2 ASN 80 6.703 48.496 63.267 1.00 36.15 N ATOM 115 C ASN 80 5.659 47.171 67.846 1.00 36.15 C ATOM 116 O ASN 80 5.849 48.113 68.612 1.00 36.15 O ATOM 117 N LEU 81 4.649 46.304 68.027 1.00 44.70 N ATOM 118 CA LEU 81 3.774 46.476 69.149 1.00 44.70 C ATOM 119 CB LEU 81 2.603 45.474 69.202 0.50 44.70 C ATOM 120 CG LEU 81 1.680 45.676 70.426 0.50 44.70 C ATOM 121 CD1 LEU 81 1.051 47.077 70.430 0.50 44.70 C ATOM 122 CD2 LEU 81 0.623 44.561 70.533 0.50 44.70 C ATOM 123 C LEU 81 4.552 46.312 70.417 1.00 44.70 C ATOM 124 O LEU 81 4.344 47.066 71.368 1.00 44.70 O ATOM 125 N LYS 82 5.476 45.334 70.470 1.00153.15 N ATOM 126 CA LYS 82 6.164 45.077 71.705 1.00153.15 C ATOM 127 CB LYS 82 7.198 43.945 71.604 1.00153.15 C ATOM 128 CG LYS 82 8.100 43.895 72.835 1.00153.15 C ATOM 129 CD LYS 82 7.382 43.476 74.116 1.00153.15 C ATOM 130 CE LYS 82 7.988 44.111 75.369 1.00153.15 C ATOM 131 NZ LYS 82 9.463 44.096 75.283 1.00153.15 N ATOM 132 C LYS 82 6.924 46.281 72.160 1.00153.15 C ATOM 133 O LYS 82 6.782 46.708 73.305 1.00153.15 O ATOM 134 N ILE 83 7.745 46.872 71.272 1.00 89.85 N ATOM 135 CA ILE 83 8.533 47.993 71.688 1.00 89.85 C ATOM 136 CB ILE 83 9.536 48.469 70.677 1.00 89.85 C ATOM 137 CG1 ILE 83 8.843 48.926 69.388 1.00 89.85 C ATOM 138 CG2 ILE 83 10.602 47.376 70.494 1.00 89.85 C ATOM 139 CD1 ILE 83 9.789 49.673 68.450 1.00 89.85 C ATOM 140 C ILE 83 7.618 49.118 72.012 1.00 89.85 C ATOM 141 O ILE 83 7.837 49.843 72.979 1.00 89.85 O ATOM 142 N HIS 84 6.552 49.280 71.215 1.00 57.98 N ATOM 143 CA HIS 84 5.630 50.358 71.398 1.00 57.98 C ATOM 144 ND1 HIS 84 3.705 52.507 69.532 1.00 57.98 N ATOM 145 CG HIS 84 3.525 51.407 70.338 1.00 57.98 C ATOM 146 CB HIS 84 4.469 50.245 70.394 1.00 57.98 C ATOM 147 NE2 HIS 84 1.766 52.796 70.580 1.00 57.98 N ATOM 148 CD2 HIS 84 2.338 51.600 70.975 1.00 57.98 C ATOM 149 CE1 HIS 84 2.621 53.306 69.715 1.00 57.98 C ATOM 150 C HIS 84 5.079 50.248 72.789 1.00 57.98 C ATOM 151 O HIS 84 4.947 51.252 73.487 1.00 57.98 O ATOM 152 N MET 85 4.797 49.006 73.238 1.00125.02 N ATOM 153 CA MET 85 4.163 48.734 74.502 1.00125.02 C ATOM 154 CB MET 85 3.922 47.221 74.710 1.00125.02 C ATOM 155 CG MET 85 3.148 46.861 75.983 1.00125.02 C ATOM 156 SD MET 85 2.682 45.104 76.110 1.00125.02 S ATOM 157 CE MET 85 1.164 45.248 75.122 1.00125.02 C ATOM 158 C MET 85 4.986 49.251 75.644 1.00125.02 C ATOM 159 O MET 85 4.435 49.805 76.595 1.00125.02 O ATOM 160 N ARG 86 6.323 49.093 75.596 1.00 60.68 N ATOM 161 CA ARG 86 7.119 49.563 76.694 1.00 60.68 C ATOM 162 CB ARG 86 8.583 49.083 76.646 1.00 60.68 C ATOM 163 CG ARG 86 9.334 49.302 77.964 1.00 60.68 C ATOM 164 CD ARG 86 10.812 48.894 77.929 1.00 60.68 C ATOM 165 NE ARG 86 11.268 48.741 79.341 1.00 60.68 N ATOM 166 CZ ARG 86 11.618 49.831 80.086 1.00 60.68 C ATOM 167 NH1 ARG 86 11.562 51.086 79.549 1.00 60.68 N ATOM 168 NH2 ARG 86 11.997 49.665 81.386 1.00 60.68 N ATOM 169 C ARG 86 7.127 51.092 76.655 1.00 60.68 C ATOM 170 O ARG 86 8.209 51.657 76.336 1.00 60.68 O ATOM 171 OXT ARG 86 6.069 51.713 76.938 1.00 60.68 O