EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.9823 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 45.455 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1543.42383 REMARK 6 GA341 score: 0.98970 REMARK 6 Normalized DOPE score: -0.20871 REMARK 6 TEMPLATE: 1llmC01 104:C - 125:C MODELS 1: - 22: AT 45.5% ATOM 1 N PHE 66 2.831 35.541 74.367 1.00 52.19 N ATOM 2 CA PHE 66 3.979 36.190 75.031 1.00 52.19 C ATOM 3 CB PHE 66 5.285 35.949 74.268 1.00 52.19 C ATOM 4 CG PHE 66 5.611 34.528 74.512 1.00 52.19 C ATOM 5 CD1 PHE 66 5.110 33.528 73.699 1.00 52.19 C ATOM 6 CD2 PHE 66 6.399 34.200 75.585 1.00 52.19 C ATOM 7 CE1 PHE 66 5.427 32.219 73.956 1.00 52.19 C ATOM 8 CE2 PHE 66 6.717 32.890 75.843 1.00 52.19 C ATOM 9 CZ PHE 66 6.227 31.896 75.029 1.00 52.19 C ATOM 10 C PHE 66 3.781 37.647 75.183 1.00 52.19 C ATOM 11 O PHE 66 3.023 38.266 74.445 1.00 52.19 O ATOM 12 N THR 67 4.473 38.224 76.182 1.00100.18 N ATOM 13 CA THR 67 4.330 39.620 76.431 1.00100.18 C ATOM 14 CB THR 67 3.638 39.889 77.741 0.50100.18 C ATOM 15 OG1 THR 67 3.328 41.262 77.894 1.00100.18 O ATOM 16 CG2 THR 67 4.538 39.377 78.880 1.00100.18 C ATOM 17 C THR 67 5.711 40.203 76.438 1.00100.18 C ATOM 18 O THR 67 6.680 39.534 76.791 1.00100.18 O ATOM 19 N CYS 68 5.835 41.477 76.014 1.00 44.90 N ATOM 20 CA CYS 68 7.124 42.101 75.975 1.00 44.90 C ATOM 21 CB CYS 68 7.195 43.272 74.978 1.00 44.90 C ATOM 22 SG CYS 68 8.889 43.873 74.712 1.00 44.90 S ATOM 23 C CYS 68 7.381 42.619 77.349 1.00 44.90 C ATOM 24 O CYS 68 6.489 43.164 77.999 1.00 44.90 O ATOM 25 N THR 69 8.623 42.452 77.839 1.00 55.52 N ATOM 26 CA THR 69 8.933 42.796 79.191 1.00 55.52 C ATOM 27 CB THR 69 10.390 42.609 79.483 1.00 55.52 C ATOM 28 OG1 THR 69 10.824 41.311 79.105 1.00 55.52 O ATOM 29 CG2 THR 69 10.585 42.809 80.995 1.00 55.52 C ATOM 30 C THR 69 8.705 44.253 79.429 1.00 55.52 C ATOM 31 O THR 69 7.963 44.647 80.328 1.00 55.52 O ATOM 32 N GLN 70 9.368 45.085 78.602 1.00119.10 N ATOM 33 CA GLN 70 9.410 46.502 78.803 1.00119.10 C ATOM 34 CB GLN 70 10.440 47.109 77.836 1.00119.10 C ATOM 35 CG GLN 70 10.093 46.801 76.379 1.00119.10 C ATOM 36 CD GLN 70 11.312 46.985 75.504 1.00119.10 C ATOM 37 OE1 GLN 70 11.419 46.351 74.455 1.00119.10 O ATOM 38 NE2 GLN 70 12.254 47.865 75.940 1.00119.10 N ATOM 39 C GLN 70 8.080 47.180 78.622 1.00119.10 C ATOM 40 O GLN 70 7.544 47.775 79.556 1.00119.10 O ATOM 41 N CYS 71 7.496 47.085 77.414 1.00 84.10 N ATOM 42 CA CYS 71 6.248 47.732 77.144 1.00 84.10 C ATOM 43 CB CYS 71 5.891 47.693 75.658 1.00 84.10 C ATOM 44 SG CYS 71 4.200 48.273 75.360 1.00 84.10 S ATOM 45 C CYS 71 5.154 47.027 77.874 1.00 84.10 C ATOM 46 O CYS 71 4.317 47.639 78.535 1.00 84.10 O ATOM 47 N GLY 72 5.161 45.688 77.796 1.00 28.52 N ATOM 48 CA GLY 72 4.108 44.952 78.416 1.00 28.52 C ATOM 49 C GLY 72 3.056 44.664 77.392 1.00 28.52 C ATOM 50 O GLY 72 1.955 44.245 77.735 1.00 28.52 O ATOM 51 N LYS 73 3.349 44.885 76.095 1.00101.42 N ATOM 52 CA LYS 73 2.342 44.574 75.125 1.00101.42 C ATOM 53 CB LYS 73 2.614 45.181 73.739 1.00101.42 C ATOM 54 CG LYS 73 1.367 45.244 72.855 1.00101.42 C ATOM 55 CD LYS 73 1.483 46.217 71.678 1.00101.42 C ATOM 56 CE LYS 73 1.490 45.536 70.308 1.00101.42 C ATOM 57 NZ LYS 73 0.761 44.247 70.379 1.00101.42 N ATOM 58 C LYS 73 2.284 43.084 75.001 1.00101.42 C ATOM 59 O LYS 73 3.269 42.391 75.251 1.00101.42 O ATOM 60 N SER 74 1.106 42.544 74.626 1.00 69.19 N ATOM 61 CA SER 74 0.991 41.120 74.548 1.00 69.19 C ATOM 62 CB SER 74 -0.271 40.584 75.247 1.00 69.19 C ATOM 63 OG SER 74 -0.236 39.168 75.296 1.00 69.19 O ATOM 64 C SER 74 0.914 40.755 73.107 1.00 69.19 C ATOM 65 O SER 74 0.367 41.506 72.297 1.00 69.19 O ATOM 66 N PHE 75 1.492 39.590 72.744 1.00 70.01 N ATOM 67 CA PHE 75 1.480 39.184 71.372 1.00 70.01 C ATOM 68 CB PHE 75 2.859 39.292 70.690 1.00 70.01 C ATOM 69 CG PHE 75 3.283 40.727 70.665 1.00 70.01 C ATOM 70 CD1 PHE 75 3.870 41.307 71.766 1.00 70.01 C ATOM 71 CD2 PHE 75 3.112 41.500 69.539 1.00 70.01 C ATOM 72 CE1 PHE 75 4.270 42.625 71.749 1.00 70.01 C ATOM 73 CE2 PHE 75 3.512 42.817 69.513 1.00 70.01 C ATOM 74 CZ PHE 75 4.088 43.387 70.621 1.00 70.01 C ATOM 75 C PHE 75 1.024 37.759 71.272 1.00 70.01 C ATOM 76 O PHE 75 1.297 36.914 72.126 1.00 70.01 O ATOM 77 N LYS 76 0.276 37.499 70.190 1.00 71.86 N ATOM 78 CA LYS 76 -0.328 36.247 69.849 1.00 71.86 C ATOM 79 CB LYS 76 -1.269 36.439 68.657 1.00 71.86 C ATOM 80 CG LYS 76 -2.329 37.513 68.934 1.00 71.86 C ATOM 81 CD LYS 76 -2.892 38.159 67.664 1.00 71.86 C ATOM 82 CE LYS 76 -3.965 39.230 67.899 1.00 71.86 C ATOM 83 NZ LYS 76 -5.311 38.682 67.613 1.00 71.86 N ATOM 84 C LYS 76 0.733 35.254 69.480 1.00 71.86 C ATOM 85 O LYS 76 0.591 34.066 69.762 1.00 71.86 O ATOM 86 N ARG 77 1.821 35.709 68.818 1.00104.68 N ATOM 87 CA ARG 77 2.819 34.767 68.386 1.00104.68 C ATOM 88 CB ARG 77 3.057 34.718 66.865 1.00104.68 C ATOM 89 CG ARG 77 2.001 33.955 66.064 1.00104.68 C ATOM 90 CD ARG 77 2.298 33.953 64.563 1.00104.68 C ATOM 91 NE ARG 77 3.028 32.696 64.227 1.00104.68 N ATOM 92 CZ ARG 77 3.648 32.586 63.015 1.00104.68 C ATOM 93 NH1 ARG 77 3.659 33.656 62.169 1.00104.68 N ATOM 94 NH2 ARG 77 4.225 31.407 62.637 1.00104.68 N ATOM 95 C ARG 77 4.147 35.060 69.010 1.00104.68 C ATOM 96 O ARG 77 4.529 36.206 69.246 1.00104.68 O ATOM 97 N LYS 78 4.879 33.965 69.288 1.00121.22 N ATOM 98 CA LYS 78 6.168 34.003 69.903 1.00121.22 C ATOM 99 CB LYS 78 6.686 32.590 70.265 1.00121.22 C ATOM 100 CG LYS 78 7.737 32.576 71.376 1.00121.22 C ATOM 101 CD LYS 78 8.997 33.371 71.050 1.00121.22 C ATOM 102 CE LYS 78 10.016 33.346 72.186 1.00121.22 C ATOM 103 NZ LYS 78 11.253 34.033 71.765 1.00121.22 N ATOM 104 C LYS 78 7.122 34.670 68.953 1.00121.22 C ATOM 105 O LYS 78 7.958 35.464 69.376 1.00121.22 O ATOM 106 N ASP 79 7.025 34.377 67.633 1.00 66.69 N ATOM 107 CA ASP 79 7.909 34.971 66.658 1.00 66.69 C ATOM 108 CB ASP 79 7.895 34.280 65.268 1.00 66.69 C ATOM 109 CG ASP 79 6.515 34.268 64.616 1.00 66.69 C ATOM 110 OD1 ASP 79 5.567 34.878 65.186 1.00 66.69 O ATOM 111 OD2 ASP 79 6.383 33.638 63.540 1.00 66.69 O ATOM 112 C ASP 79 7.638 36.443 66.530 1.00 66.69 C ATOM 113 O ASP 79 8.550 37.234 66.287 1.00 66.69 O ATOM 114 N ILE 80 6.365 36.844 66.703 1.00 90.58 N ATOM 115 CA ILE 80 5.967 38.217 66.637 1.00 90.58 C ATOM 116 CB ILE 80 4.497 38.393 66.901 1.00 90.58 C ATOM 117 CG1 ILE 80 3.643 37.675 65.846 1.00 90.58 C ATOM 118 CG2 ILE 80 4.221 39.900 66.994 1.00 90.58 C ATOM 119 CD1 ILE 80 3.889 38.204 64.437 1.00 90.58 C ATOM 120 C ILE 80 6.669 38.945 67.741 1.00 90.58 C ATOM 121 O ILE 80 7.193 40.038 67.540 1.00 90.58 O ATOM 122 N LEU 81 6.696 38.353 68.953 1.00 56.13 N ATOM 123 CA LEU 81 7.298 38.994 70.086 1.00 56.13 C ATOM 124 CB LEU 81 7.192 38.222 71.401 0.50 56.13 C ATOM 125 CG LEU 81 8.027 38.923 72.486 0.50 56.13 C ATOM 126 CD1 LEU 81 7.419 40.286 72.848 0.50 56.13 C ATOM 127 CD2 LEU 81 8.306 38.003 73.684 0.50 56.13 C ATOM 128 C LEU 81 8.761 39.150 69.869 1.00 56.13 C ATOM 129 O LEU 81 9.335 40.177 70.232 1.00 56.13 O ATOM 130 N LYS 82 9.401 38.133 69.270 1.00 86.93 N ATOM 131 CA LYS 82 10.823 38.195 69.151 1.00 86.93 C ATOM 132 CB LYS 82 11.446 36.986 68.431 1.00 86.93 C ATOM 133 CG LYS 82 12.951 36.943 68.677 1.00 86.93 C ATOM 134 CD LYS 82 13.700 35.828 67.955 1.00 86.93 C ATOM 135 CE LYS 82 15.205 36.097 67.951 1.00 86.93 C ATOM 136 NZ LYS 82 15.816 35.592 66.702 1.00 86.93 N ATOM 137 C LYS 82 11.202 39.414 68.366 1.00 86.93 C ATOM 138 O LYS 82 12.119 40.137 68.749 1.00 86.93 O ATOM 139 N THR 83 10.506 39.675 67.239 1.00 98.38 N ATOM 140 CA THR 83 10.816 40.799 66.408 1.00 98.38 C ATOM 141 CB THR 83 10.086 40.786 65.101 1.00 98.38 C ATOM 142 OG1 THR 83 10.569 41.841 64.287 1.00 98.38 O ATOM 143 CG2 THR 83 8.582 40.960 65.353 1.00 98.38 C ATOM 144 C THR 83 10.482 42.075 67.115 1.00 98.38 C ATOM 145 O THR 83 11.220 43.053 67.015 1.00 98.38 O ATOM 146 N HIS 84 9.368 42.090 67.872 1.00 72.05 N ATOM 147 CA HIS 84 8.946 43.300 68.512 1.00 72.05 C ATOM 148 ND1 HIS 84 7.390 45.724 69.454 1.00 72.05 N ATOM 149 CG HIS 84 7.429 44.489 70.063 1.00 72.05 C ATOM 150 CB HIS 84 7.632 43.207 69.308 1.00 72.05 C ATOM 151 NE2 HIS 84 7.233 46.087 71.643 1.00 72.05 N ATOM 152 CD2 HIS 84 7.328 44.730 71.398 1.00 72.05 C ATOM 153 CE1 HIS 84 7.276 46.645 70.447 1.00 72.05 C ATOM 154 C HIS 84 9.984 43.762 69.477 1.00 72.05 C ATOM 155 O HIS 84 10.221 44.961 69.611 1.00 72.05 O ATOM 156 N MET 85 10.641 42.819 70.162 1.00 72.66 N ATOM 157 CA MET 85 11.587 43.167 71.179 1.00 72.66 C ATOM 158 CB MET 85 12.215 41.907 71.797 1.00 72.66 C ATOM 159 CG MET 85 13.209 42.157 72.929 1.00 72.66 C ATOM 160 SD MET 85 13.985 40.637 73.561 1.00 72.66 S ATOM 161 CE MET 85 14.887 40.302 72.021 1.00 72.66 C ATOM 162 C MET 85 12.676 43.984 70.555 1.00 72.66 C ATOM 163 O MET 85 13.174 44.936 71.152 1.00 72.66 O ATOM 164 N ARG 86 13.098 43.602 69.331 1.00114.09 N ATOM 165 CA ARG 86 14.140 44.334 68.669 1.00114.09 C ATOM 166 CB ARG 86 14.617 43.703 67.346 1.00114.09 C ATOM 167 CG ARG 86 15.502 42.469 67.521 1.00114.09 C ATOM 168 CD ARG 86 16.081 41.935 66.210 1.00114.09 C ATOM 169 NE ARG 86 14.950 41.355 65.434 1.00114.09 N ATOM 170 CZ ARG 86 14.421 42.021 64.366 1.00114.09 C ATOM 171 NH1 ARG 86 14.944 43.219 63.976 1.00114.09 N ATOM 172 NH2 ARG 86 13.361 41.494 63.685 1.00114.09 N ATOM 173 C ARG 86 13.695 45.720 68.316 1.00114.09 C ATOM 174 O ARG 86 14.410 46.685 68.581 1.00114.09 O ATOM 175 N ILE 87 12.494 45.873 67.735 1.00 71.47 N ATOM 176 CA ILE 87 12.093 47.168 67.262 1.00 71.47 C ATOM 177 CB ILE 87 10.780 47.138 66.526 1.00 71.47 C ATOM 178 CG1 ILE 87 10.642 48.407 65.678 1.00 71.47 C ATOM 179 CG2 ILE 87 9.624 46.932 67.523 1.00 71.47 C ATOM 180 CD1 ILE 87 9.531 48.306 64.636 1.00 71.47 C ATOM 181 C ILE 87 11.989 48.156 68.415 1.00 71.47 C ATOM 182 O ILE 87 12.509 49.296 68.280 1.00 71.47 O ATOM 183 OXT ILE 87 11.377 47.784 69.451 1.00 71.47 O