EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:15 REMARK 6 MODELLER OBJECTIVE FUNCTION: 73.0341 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 36.364 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1124.88672 REMARK 6 GA341 score: 0.83963 REMARK 6 Normalized DOPE score: -0.13190 REMARK 6 TEMPLATE: 1a1iA03 160:A - 181:A MODELS 1: - 22: AT 36.4% ATOM 1 N GLU 149 3.424 20.142 37.523 1.00 28.10 N ATOM 2 CA GLU 149 3.770 20.039 38.959 1.00 28.10 C ATOM 3 CB GLU 149 5.222 19.560 39.117 1.00 28.10 C ATOM 4 CG GLU 149 5.588 19.191 40.554 1.00 28.10 C ATOM 5 CD GLU 149 6.904 18.427 40.517 1.00 28.10 C ATOM 6 OE1 GLU 149 7.330 18.025 39.403 1.00 28.10 O ATOM 7 OE2 GLU 149 7.497 18.227 41.612 1.00 28.10 O ATOM 8 C GLU 149 3.614 21.368 39.620 1.00 28.10 C ATOM 9 O GLU 149 2.499 21.840 39.834 1.00 28.10 O ATOM 10 N LYS 150 4.743 22.008 39.973 1.00 54.41 N ATOM 11 CA LYS 150 4.646 23.299 40.587 1.00 54.41 C ATOM 12 CB LYS 150 5.741 23.534 41.636 1.00 54.41 C ATOM 13 CG LYS 150 5.615 22.536 42.787 1.00 54.41 C ATOM 14 CD LYS 150 6.862 22.404 43.661 1.00 54.41 C ATOM 15 CE LYS 150 6.724 21.292 44.704 1.00 54.41 C ATOM 16 NZ LYS 150 8.029 21.024 45.348 1.00 54.41 N ATOM 17 C LYS 150 4.817 24.279 39.480 1.00 54.41 C ATOM 18 O LYS 150 5.932 24.640 39.108 1.00 54.41 O ATOM 19 N SER 151 3.676 24.729 38.934 1.00 53.74 N ATOM 20 CA SER 151 3.620 25.579 37.785 1.00 53.74 C ATOM 21 CB SER 151 2.210 25.634 37.172 1.00 53.74 C ATOM 22 OG SER 151 1.269 26.036 38.153 1.00 53.74 O ATOM 23 C SER 151 4.087 26.984 38.032 1.00 53.74 C ATOM 24 O SER 151 4.641 27.593 37.118 1.00 53.74 O ATOM 25 N LEU 152 3.898 27.566 39.236 1.00104.05 N ATOM 26 CA LEU 152 4.277 28.956 39.309 1.00104.05 C ATOM 27 CB LEU 152 3.173 29.892 39.837 1.00104.05 C ATOM 28 CG LEU 152 1.990 30.071 38.865 1.00104.05 C ATOM 29 CD1 LEU 152 2.447 30.708 37.543 1.00104.05 C ATOM 30 CD2 LEU 152 1.215 28.765 38.667 1.00104.05 C ATOM 31 C LEU 152 5.503 29.180 40.144 1.00104.05 C ATOM 32 O LEU 152 5.531 28.929 41.348 1.00104.05 O ATOM 33 N PRO 153 6.532 29.639 39.474 1.00100.20 N ATOM 34 CA PRO 153 7.770 29.978 40.135 1.00100.20 C ATOM 35 CD PRO 153 6.760 29.175 38.115 1.00100.20 C ATOM 36 CB PRO 153 8.886 29.701 39.127 1.00100.20 C ATOM 37 CG PRO 153 8.174 29.660 37.765 1.00100.20 C ATOM 38 C PRO 153 7.786 31.392 40.637 1.00100.20 C ATOM 39 O PRO 153 7.107 32.245 40.062 1.00100.20 O ATOM 40 N CYS 154 8.581 31.665 41.693 1.00 45.71 N ATOM 41 CA CYS 154 8.705 32.989 42.232 1.00 45.71 C ATOM 42 CB CYS 154 9.363 33.028 43.624 1.00 45.71 C ATOM 43 SG CYS 154 9.521 34.717 44.281 1.00 45.71 S ATOM 44 C CYS 154 9.579 33.753 41.296 1.00 45.71 C ATOM 45 O CYS 154 10.549 33.221 40.757 1.00 45.71 O ATOM 46 N ASP 155 9.252 35.036 41.069 1.00 52.54 N ATOM 47 CA ASP 155 10.019 35.775 40.116 1.00 52.54 C ATOM 48 CB ASP 155 9.511 37.220 39.945 1.00 52.54 C ATOM 49 CG ASP 155 8.094 37.187 39.388 1.00 52.54 C ATOM 50 OD1 ASP 155 7.424 36.127 39.509 1.00 52.54 O ATOM 51 OD2 ASP 155 7.661 38.231 38.829 1.00 52.54 O ATOM 52 C ASP 155 11.440 35.863 40.580 1.00 52.54 C ATOM 53 O ASP 155 12.356 35.437 39.876 1.00 52.54 O ATOM 54 N GLN 156 11.662 36.438 41.780 1.00109.64 N ATOM 55 CA GLN 156 13.000 36.623 42.266 1.00109.64 C ATOM 56 CB GLN 156 13.078 37.698 43.362 1.00109.64 C ATOM 57 CG GLN 156 14.505 38.021 43.811 1.00109.64 C ATOM 58 CD GLN 156 14.423 39.230 44.726 1.00109.64 C ATOM 59 OE1 GLN 156 13.684 40.175 44.453 1.00109.64 O ATOM 60 NE2 GLN 156 15.195 39.204 45.845 1.00109.64 N ATOM 61 C GLN 156 13.620 35.364 42.801 1.00109.64 C ATOM 62 O GLN 156 14.754 35.032 42.460 1.00109.64 O ATOM 63 N CYS 157 12.882 34.646 43.674 1.00 87.29 N ATOM 64 CA CYS 157 13.372 33.475 44.355 1.00 87.29 C ATOM 65 CB CYS 157 12.399 33.002 45.451 1.00 87.29 C ATOM 66 SG CYS 157 12.971 31.512 46.316 1.00 87.29 S ATOM 67 C CYS 157 13.574 32.325 43.418 1.00 87.29 C ATOM 68 O CYS 157 14.622 31.681 43.431 1.00 87.29 O ATOM 69 N GLY 158 12.571 32.042 42.565 1.00 24.49 N ATOM 70 CA GLY 158 12.675 30.927 41.667 1.00 24.49 C ATOM 71 C GLY 158 12.001 29.735 42.286 1.00 24.49 C ATOM 72 O GLY 158 11.817 28.708 41.635 1.00 24.49 O ATOM 73 N LYS 159 11.592 29.841 43.566 1.00 41.50 N ATOM 74 CA LYS 159 10.945 28.732 44.211 1.00 41.50 C ATOM 75 CB LYS 159 10.621 28.994 45.694 1.00 41.50 C ATOM 76 CG LYS 159 9.933 27.822 46.406 1.00 41.50 C ATOM 77 CD LYS 159 9.866 27.991 47.928 1.00 41.50 C ATOM 78 CE LYS 159 9.132 26.859 48.652 1.00 41.50 C ATOM 79 NZ LYS 159 9.041 27.157 50.101 1.00 41.50 N ATOM 80 C LYS 159 9.652 28.506 43.499 1.00 41.50 C ATOM 81 O LYS 159 8.971 29.457 43.119 1.00 41.50 O ATOM 82 N ARG 160 9.270 27.229 43.297 1.00164.85 N ATOM 83 CA ARG 160 8.059 26.967 42.572 1.00164.85 C ATOM 84 CB ARG 160 8.237 25.948 41.433 1.00164.85 C ATOM 85 CG ARG 160 8.748 24.589 41.910 1.00164.85 C ATOM 86 CD ARG 160 10.271 24.444 41.904 1.00164.85 C ATOM 87 NE ARG 160 10.725 24.363 40.486 1.00164.85 N ATOM 88 CZ ARG 160 11.925 23.782 40.195 1.00164.85 C ATOM 89 NH1 ARG 160 12.697 23.281 41.206 1.00164.85 N ATOM 90 NH2 ARG 160 12.351 23.692 38.901 1.00164.85 N ATOM 91 C ARG 160 7.021 26.459 43.525 1.00164.85 C ATOM 92 O ARG 160 7.340 25.819 44.527 1.00164.85 O ATOM 93 N PHE 161 5.738 26.763 43.235 1.00 53.90 N ATOM 94 CA PHE 161 4.665 26.392 44.114 1.00 53.90 C ATOM 95 CB PHE 161 3.986 27.600 44.780 1.00 53.90 C ATOM 96 CG PHE 161 4.993 28.241 45.668 1.00 53.90 C ATOM 97 CD1 PHE 161 5.871 29.174 45.166 1.00 53.90 C ATOM 98 CD2 PHE 161 5.054 27.909 47.001 1.00 53.90 C ATOM 99 CE1 PHE 161 6.802 29.765 45.985 1.00 53.90 C ATOM 100 CE2 PHE 161 5.984 28.497 47.825 1.00 53.90 C ATOM 101 CZ PHE 161 6.858 29.427 47.316 1.00 53.90 C ATOM 102 C PHE 161 3.603 25.682 43.339 1.00 53.90 C ATOM 103 O PHE 161 3.458 25.861 42.129 1.00 53.90 O ATOM 104 N THR 162 2.848 24.827 44.056 1.00 31.18 N ATOM 105 CA THR 162 1.775 24.048 43.516 1.00 31.18 C ATOM 106 CB THR 162 1.189 23.112 44.532 1.00 31.18 C ATOM 107 OG1 THR 162 2.191 22.240 45.032 1.00 31.18 O ATOM 108 CG2 THR 162 0.066 22.298 43.869 1.00 31.18 C ATOM 109 C THR 162 0.670 24.962 43.087 1.00 31.18 C ATOM 110 O THR 162 0.083 24.773 42.023 1.00 31.18 O ATOM 111 N HIS 163 0.355 25.983 43.909 1.00 61.41 N ATOM 112 CA HIS 163 -0.740 26.848 43.572 1.00 61.41 C ATOM 113 ND1 HIS 163 -3.731 25.520 45.608 1.00 61.41 N ATOM 114 CG HIS 163 -2.726 25.703 44.688 1.00 61.41 C ATOM 115 CB HIS 163 -1.847 26.917 44.639 1.00 61.41 C ATOM 116 NE2 HIS 163 -3.765 23.744 44.272 1.00 61.41 N ATOM 117 CD2 HIS 163 -2.758 24.607 43.879 1.00 61.41 C ATOM 118 CE1 HIS 163 -4.322 24.333 45.313 1.00 61.41 C ATOM 119 C HIS 163 -0.245 28.246 43.401 1.00 61.41 C ATOM 120 O HIS 163 0.753 28.657 43.989 1.00 61.41 O ATOM 121 N GLU 164 -0.965 29.014 42.564 1.00104.80 N ATOM 122 CA GLU 164 -0.660 30.383 42.276 1.00104.80 C ATOM 123 CB GLU 164 -1.490 30.965 41.114 1.00104.80 C ATOM 124 CG GLU 164 -2.970 30.589 41.148 1.00104.80 C ATOM 125 CD GLU 164 -3.137 29.341 40.285 1.00104.80 C ATOM 126 OE1 GLU 164 -2.344 28.377 40.445 1.00104.80 O ATOM 127 OE2 GLU 164 -4.064 29.338 39.432 1.00104.80 O ATOM 128 C GLU 164 -0.858 31.207 43.507 1.00104.80 C ATOM 129 O GLU 164 -0.137 32.178 43.727 1.00104.80 O ATOM 130 N LEU 165 -1.842 30.841 44.351 1.00 32.90 N ATOM 131 CA LEU 165 -2.110 31.598 45.541 1.00 32.90 C ATOM 132 CB LEU 165 -3.242 30.995 46.397 1.00 32.90 C ATOM 133 CG LEU 165 -4.622 30.953 45.714 1.00 32.90 C ATOM 134 CD1 LEU 165 -5.690 30.370 46.655 1.00 32.90 C ATOM 135 CD2 LEU 165 -5.017 32.324 45.145 1.00 32.90 C ATOM 136 C LEU 165 -0.884 31.559 46.393 1.00 32.90 C ATOM 137 O LEU 165 -0.477 32.574 46.957 1.00 32.90 O ATOM 138 N SER 166 -0.256 30.373 46.496 1.00 22.29 N ATOM 139 CA SER 166 0.899 30.201 47.328 1.00 22.29 C ATOM 140 CB SER 166 1.412 28.749 47.327 1.00 22.29 C ATOM 141 OG SER 166 0.451 27.893 47.931 1.00 22.29 O ATOM 142 C SER 166 1.994 31.080 46.818 1.00 22.29 C ATOM 143 O SER 166 2.685 31.738 47.594 1.00 22.29 O ATOM 144 N LEU 167 2.161 31.135 45.485 1.00 69.65 N ATOM 145 CA LEU 167 3.206 31.935 44.926 1.00 69.65 C ATOM 146 CB LEU 167 3.265 31.832 43.393 1.00 69.65 C ATOM 147 CG LEU 167 4.397 32.656 42.759 1.00 69.65 C ATOM 148 CD1 LEU 167 5.775 32.133 43.198 1.00 69.65 C ATOM 149 CD2 LEU 167 4.248 32.711 41.232 1.00 69.65 C ATOM 150 C LEU 167 2.922 33.358 45.300 1.00 69.65 C ATOM 151 O LEU 167 3.828 34.124 45.625 1.00 69.65 O ATOM 152 N ASN 168 1.632 33.742 45.283 1.00 65.16 N ATOM 153 CA ASN 168 1.246 35.087 45.597 1.00 65.16 C ATOM 154 CB ASN 168 -0.285 35.269 45.529 1.00 65.16 C ATOM 155 CG ASN 168 -0.656 36.718 45.818 1.00 65.16 C ATOM 156 OD1 ASN 168 -0.325 37.266 46.869 1.00 65.16 O ATOM 157 ND2 ASN 168 -1.379 37.359 44.860 1.00 65.16 N ATOM 158 C ASN 168 1.683 35.401 46.994 1.00 65.16 C ATOM 159 O ASN 168 2.277 36.448 47.246 1.00 65.16 O ATOM 160 N ALA 169 1.414 34.487 47.944 1.00 19.81 N ATOM 161 CA ALA 169 1.762 34.752 49.309 1.00 19.81 C ATOM 162 CB ALA 169 1.330 33.620 50.256 1.00 19.81 C ATOM 163 C ALA 169 3.248 34.879 49.409 1.00 19.81 C ATOM 164 O ALA 169 3.765 35.796 50.045 1.00 19.81 O ATOM 165 N HIS 170 3.979 33.963 48.750 1.00 25.36 N ATOM 166 CA HIS 170 5.408 33.980 48.817 1.00 25.36 C ATOM 167 ND1 HIS 170 8.091 31.920 49.129 1.00 25.36 N ATOM 168 CG HIS 170 7.532 32.738 48.172 1.00 25.36 C ATOM 169 CB HIS 170 6.055 32.883 47.953 1.00 25.36 C ATOM 170 NE2 HIS 170 9.778 32.902 48.068 1.00 25.36 N ATOM 171 CD2 HIS 170 8.576 33.331 47.532 1.00 25.36 C ATOM 172 CE1 HIS 170 9.437 32.057 49.023 1.00 25.36 C ATOM 173 C HIS 170 5.880 35.330 48.293 1.00 25.36 C ATOM 174 O HIS 170 6.734 35.965 48.968 1.00 25.36 O ATOM 175 OXT HIS 170 5.392 35.745 47.208 1.00 25.36 O