EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 85.2300 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 40.909 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1276.58923 REMARK 6 GA341 score: 0.74474 REMARK 6 Normalized DOPE score: -0.31590 REMARK 6 TEMPLATE: 1llmC01 101:C - 122:C MODELS 1: - 22: AT 40.9% ATOM 1 N GLU 147 11.424 37.454 66.316 1.00 57.48 N ATOM 2 CA GLU 147 11.067 38.612 67.171 1.00 57.48 C ATOM 3 CB GLU 147 12.346 39.263 67.728 1.00 57.48 C ATOM 4 CG GLU 147 12.111 40.294 68.834 1.00 57.48 C ATOM 5 CD GLU 147 11.937 39.544 70.149 1.00 57.48 C ATOM 6 OE1 GLU 147 11.616 38.328 70.093 1.00 57.48 O ATOM 7 OE2 GLU 147 12.123 40.177 71.225 1.00 57.48 O ATOM 8 C GLU 147 10.332 39.625 66.354 1.00 57.48 C ATOM 9 O GLU 147 10.798 40.031 65.292 1.00 57.48 O ATOM 10 N LYS 148 9.142 40.049 66.821 1.00 99.63 N ATOM 11 CA LYS 148 8.405 41.012 66.056 1.00 99.63 C ATOM 12 CB LYS 148 6.991 40.526 65.703 1.00 99.63 C ATOM 13 CG LYS 148 7.001 39.286 64.807 1.00 99.63 C ATOM 14 CD LYS 148 5.657 38.560 64.746 1.00 99.63 C ATOM 15 CE LYS 148 5.297 37.835 66.045 1.00 99.63 C ATOM 16 NZ LYS 148 6.255 36.737 66.295 1.00 99.63 N ATOM 17 C LYS 148 8.273 42.245 66.888 1.00 99.63 C ATOM 18 O LYS 148 7.408 42.350 67.757 1.00 99.63 O ATOM 19 N PRO 149 9.153 43.168 66.633 1.00160.30 N ATOM 20 CA PRO 149 9.158 44.407 67.361 1.00160.30 C ATOM 21 CD PRO 149 10.495 42.775 66.230 1.00160.30 C ATOM 22 CB PRO 149 10.541 45.019 67.147 1.00160.30 C ATOM 23 CG PRO 149 11.439 43.800 66.877 1.00160.30 C ATOM 24 C PRO 149 8.051 45.358 67.033 1.00160.30 C ATOM 25 O PRO 149 7.797 46.248 67.843 1.00160.30 O ATOM 26 N PHE 150 7.379 45.228 65.874 1.00115.72 N ATOM 27 CA PHE 150 6.409 46.239 65.566 1.00115.72 C ATOM 28 CB PHE 150 6.518 46.783 64.132 1.00115.72 C ATOM 29 CG PHE 150 7.772 47.583 64.121 1.00115.72 C ATOM 30 CD1 PHE 150 7.743 48.912 64.474 1.00115.72 C ATOM 31 CD2 PHE 150 8.973 47.002 63.788 1.00115.72 C ATOM 32 CE1 PHE 150 8.893 49.659 64.476 1.00115.72 C ATOM 33 CE2 PHE 150 10.129 47.748 63.787 1.00115.72 C ATOM 34 CZ PHE 150 10.090 49.078 64.134 1.00115.72 C ATOM 35 C PHE 150 5.035 45.702 65.777 1.00115.72 C ATOM 36 O PHE 150 4.712 44.600 65.340 1.00115.72 O ATOM 37 N THR 151 4.179 46.497 66.455 1.00 99.15 N ATOM 38 CA THR 151 2.857 46.031 66.752 1.00 99.15 C ATOM 39 CB THR 151 2.590 45.940 68.226 0.50 99.15 C ATOM 40 OG1 THR 151 1.339 45.315 68.464 1.00 99.15 O ATOM 41 CG2 THR 151 2.604 47.357 68.818 1.00 99.15 C ATOM 42 C THR 151 1.847 46.971 66.171 1.00 99.15 C ATOM 43 O THR 151 2.055 48.182 66.110 1.00 99.15 O ATOM 44 N CYS 152 0.709 46.405 65.719 1.00 33.62 N ATOM 45 CA CYS 152 -0.371 47.167 65.162 1.00 33.62 C ATOM 46 CB CYS 152 -1.247 46.364 64.185 1.00 33.62 C ATOM 47 SG CYS 152 -2.606 47.351 63.490 1.00 33.62 S ATOM 48 C CYS 152 -1.239 47.588 66.297 1.00 33.62 C ATOM 49 O CYS 152 -1.536 46.799 67.191 1.00 33.62 O ATOM 50 N THR 153 -1.659 48.865 66.287 1.00109.85 N ATOM 51 CA THR 153 -2.426 49.409 67.369 1.00109.85 C ATOM 52 CB THR 153 -2.656 50.888 67.236 1.00109.85 C ATOM 53 OG1 THR 153 -3.444 51.167 66.089 1.00109.85 O ATOM 54 CG2 THR 153 -1.292 51.590 67.125 1.00109.85 C ATOM 55 C THR 153 -3.768 48.750 67.479 1.00109.85 C ATOM 56 O THR 153 -4.224 48.459 68.584 1.00109.85 O ATOM 57 N GLN 154 -4.470 48.537 66.346 1.00 53.29 N ATOM 58 CA GLN 154 -5.790 47.979 66.467 1.00 53.29 C ATOM 59 CB GLN 154 -6.579 47.992 65.148 1.00 53.29 C ATOM 60 CG GLN 154 -6.906 49.382 64.607 1.00 53.29 C ATOM 61 CD GLN 154 -7.768 49.173 63.368 1.00 53.29 C ATOM 62 OE1 GLN 154 -8.144 50.125 62.685 1.00 53.29 O ATOM 63 NE2 GLN 154 -8.090 47.884 63.071 1.00 53.29 N ATOM 64 C GLN 154 -5.768 46.540 66.897 1.00 53.29 C ATOM 65 O GLN 154 -6.359 46.179 67.915 1.00 53.29 O ATOM 66 N CYS 155 -5.074 45.686 66.114 1.00 97.59 N ATOM 67 CA CYS 155 -5.039 44.268 66.357 1.00 97.59 C ATOM 68 CB CYS 155 -4.315 43.484 65.253 1.00 97.59 C ATOM 69 SG CYS 155 -5.013 43.713 63.599 1.00 97.59 S ATOM 70 C CYS 155 -4.239 43.973 67.578 1.00 97.59 C ATOM 71 O CYS 155 -4.648 43.198 68.440 1.00 97.59 O ATOM 72 N GLY 156 -3.059 44.608 67.670 1.00 23.16 N ATOM 73 CA GLY 156 -2.148 44.315 68.732 1.00 23.16 C ATOM 74 C GLY 156 -1.226 43.245 68.228 1.00 23.16 C ATOM 75 O GLY 156 -0.372 42.752 68.962 1.00 23.16 O ATOM 76 N LYS 157 -1.382 42.857 66.944 1.00 82.83 N ATOM 77 CA LYS 157 -0.558 41.841 66.352 1.00 82.83 C ATOM 78 CB LYS 157 -1.076 41.378 64.983 1.00 82.83 C ATOM 79 CG LYS 157 -0.385 40.134 64.423 1.00 82.83 C ATOM 80 CD LYS 157 -1.130 39.546 63.225 1.00 82.83 C ATOM 81 CE LYS 157 -2.610 39.302 63.509 1.00 82.83 C ATOM 82 NZ LYS 157 -3.291 38.805 62.291 1.00 82.83 N ATOM 83 C LYS 157 0.804 42.422 66.148 1.00 82.83 C ATOM 84 O LYS 157 0.943 43.614 65.880 1.00 82.83 O ATOM 85 N SER 158 1.854 41.584 66.271 1.00 39.24 N ATOM 86 CA SER 158 3.195 42.079 66.114 1.00 39.24 C ATOM 87 CB SER 158 4.129 41.699 67.276 1.00 39.24 C ATOM 88 OG SER 158 3.705 42.345 68.468 1.00 39.24 O ATOM 89 C SER 158 3.762 41.495 64.858 1.00 39.24 C ATOM 90 O SER 158 3.375 40.405 64.439 1.00 39.24 O ATOM 91 N PHE 159 4.689 42.233 64.207 1.00 60.39 N ATOM 92 CA PHE 159 5.252 41.763 62.974 1.00 60.39 C ATOM 93 CB PHE 159 4.740 42.525 61.733 1.00 60.39 C ATOM 94 CG PHE 159 3.270 42.275 61.615 1.00 60.39 C ATOM 95 CD1 PHE 159 2.368 43.057 62.302 1.00 60.39 C ATOM 96 CD2 PHE 159 2.784 41.257 60.823 1.00 60.39 C ATOM 97 CE1 PHE 159 1.015 42.832 62.202 1.00 60.39 C ATOM 98 CE2 PHE 159 1.431 41.026 60.718 1.00 60.39 C ATOM 99 CZ PHE 159 0.542 41.814 61.410 1.00 60.39 C ATOM 100 C PHE 159 6.744 41.914 63.035 1.00 60.39 C ATOM 101 O PHE 159 7.277 42.740 63.775 1.00 60.39 O ATOM 102 N GLY 160 7.447 41.072 62.248 1.00 30.78 N ATOM 103 CA GLY 160 8.881 41.027 62.186 1.00 30.78 C ATOM 104 C GLY 160 9.432 42.299 61.620 1.00 30.78 C ATOM 105 O GLY 160 10.489 42.759 62.050 1.00 30.78 O ATOM 106 N ARG 161 8.757 42.888 60.611 1.00 65.76 N ATOM 107 CA ARG 161 9.327 44.070 60.027 1.00 65.76 C ATOM 108 CB ARG 161 9.801 43.891 58.576 1.00 65.76 C ATOM 109 CG ARG 161 11.082 43.062 58.467 1.00 65.76 C ATOM 110 CD ARG 161 11.652 43.006 57.050 1.00 65.76 C ATOM 111 NE ARG 161 12.977 42.329 57.131 1.00 65.76 N ATOM 112 CZ ARG 161 13.691 42.087 55.992 1.00 65.76 C ATOM 113 NH1 ARG 161 13.166 42.415 54.774 1.00 65.76 N ATOM 114 NH2 ARG 161 14.930 41.522 56.071 1.00 65.76 N ATOM 115 C ARG 161 8.334 45.185 60.034 1.00 65.76 C ATOM 116 O ARG 161 7.128 44.979 59.905 1.00 65.76 O ATOM 117 N ASN 162 8.859 46.418 60.181 1.00 77.12 N ATOM 118 CA ASN 162 8.060 47.603 60.232 1.00 77.12 C ATOM 119 CB ASN 162 8.857 48.875 60.575 1.00 77.12 C ATOM 120 CG ASN 162 7.867 49.935 61.050 1.00 77.12 C ATOM 121 OD1 ASN 162 8.231 51.087 61.278 1.00 77.12 O ATOM 122 ND2 ASN 162 6.576 49.539 61.205 1.00 77.12 N ATOM 123 C ASN 162 7.409 47.810 58.903 1.00 77.12 C ATOM 124 O ASN 162 6.270 48.270 58.838 1.00 77.12 O ATOM 125 N LEU 163 8.106 47.477 57.801 1.00 84.44 N ATOM 126 CA LEU 163 7.542 47.704 56.499 1.00 84.44 C ATOM 127 CB LEU 163 8.505 47.268 55.364 1.00 84.44 C ATOM 128 CG LEU 163 8.067 47.533 53.898 1.00 84.44 C ATOM 129 CD1 LEU 163 9.173 47.105 52.921 1.00 84.44 C ATOM 130 CD2 LEU 163 6.733 46.872 53.519 1.00 84.44 C ATOM 131 C LEU 163 6.285 46.895 56.420 1.00 84.44 C ATOM 132 O LEU 163 5.257 47.379 55.946 1.00 84.44 O ATOM 133 N ASP 164 6.334 45.638 56.904 1.00 62.39 N ATOM 134 CA ASP 164 5.197 44.765 56.842 1.00 62.39 C ATOM 135 CB ASP 164 5.498 43.359 57.392 1.00 62.39 C ATOM 136 CG ASP 164 4.376 42.412 56.982 1.00 62.39 C ATOM 137 OD1 ASP 164 3.421 42.875 56.304 1.00 62.39 O ATOM 138 OD2 ASP 164 4.466 41.209 57.342 1.00 62.39 O ATOM 139 C ASP 164 4.109 45.360 57.677 1.00 62.39 C ATOM 140 O ASP 164 2.939 45.344 57.298 1.00 62.39 O ATOM 141 N LEU 165 4.477 45.913 58.845 1.00 39.66 N ATOM 142 CA LEU 165 3.516 46.510 59.726 1.00 39.66 C ATOM 143 CB LEU 165 4.163 47.059 61.007 0.50 39.66 C ATOM 144 CG LEU 165 3.164 47.735 61.961 0.50 39.66 C ATOM 145 CD1 LEU 165 2.189 46.716 62.573 0.50 39.66 C ATOM 146 CD2 LEU 165 3.896 48.581 63.011 0.50 39.66 C ATOM 147 C LEU 165 2.900 47.675 59.019 1.00 39.66 C ATOM 148 O LEU 165 1.698 47.912 59.127 1.00 39.66 O ATOM 149 N LYS 166 3.725 48.420 58.257 1.00109.87 N ATOM 150 CA LYS 166 3.274 49.613 57.609 1.00109.87 C ATOM 151 CB LYS 166 4.368 50.246 56.729 1.00109.87 C ATOM 152 CG LYS 166 3.962 51.567 56.069 1.00109.87 C ATOM 153 CD LYS 166 5.137 52.358 55.482 1.00109.87 C ATOM 154 CE LYS 166 4.717 53.609 54.709 1.00109.87 C ATOM 155 NZ LYS 166 4.194 54.629 55.642 1.00109.87 N ATOM 156 C LYS 166 2.132 49.257 56.724 1.00109.87 C ATOM 157 O LYS 166 1.093 49.913 56.757 1.00109.87 O ATOM 158 N ILE 167 2.272 48.192 55.914 1.00200.41 N ATOM 159 CA ILE 167 1.145 47.878 55.093 1.00200.41 C ATOM 160 CB ILE 167 1.531 47.532 53.680 1.00200.41 C ATOM 161 CG1 ILE 167 0.280 47.234 52.839 1.00200.41 C ATOM 162 CG2 ILE 167 2.589 46.413 53.699 1.00200.41 C ATOM 163 CD1 ILE 167 0.549 47.207 51.337 1.00200.41 C ATOM 164 C ILE 167 0.436 46.716 55.713 1.00200.41 C ATOM 165 O ILE 167 0.451 45.598 55.203 1.00200.41 O ATOM 166 N HIS 168 -0.247 46.973 56.843 1.00 56.60 N ATOM 167 CA HIS 168 -0.993 45.936 57.486 1.00 56.60 C ATOM 168 ND1 HIS 168 -1.294 43.142 59.123 1.00 56.60 N ATOM 169 CG HIS 168 -1.268 44.458 59.525 1.00 56.60 C ATOM 170 CB HIS 168 -0.445 45.530 58.865 1.00 56.60 C ATOM 171 NE2 HIS 168 -2.670 43.305 60.863 1.00 56.60 N ATOM 172 CD2 HIS 168 -2.114 44.541 60.585 1.00 56.60 C ATOM 173 CE1 HIS 168 -2.150 42.496 59.959 1.00 56.60 C ATOM 174 C HIS 168 -2.398 46.483 57.698 1.00 56.60 C ATOM 175 O HIS 168 -3.316 45.670 57.988 1.00 56.60 O ATOM 176 OXT HIS 168 -2.573 47.725 57.573 1.00 56.60 O