EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:22 REMARK 6 MODELLER OBJECTIVE FUNCTION: 78.1090 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 39.130 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1522.75879 REMARK 6 GA341 score: 0.81781 REMARK 6 Normalized DOPE score: 0.18939 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 39.1% ATOM 1 N GLU 170 1.028 38.019 80.097 1.00 50.24 N ATOM 2 CA GLU 170 2.061 39.027 80.418 1.00 50.24 C ATOM 3 CB GLU 170 2.993 38.491 81.516 1.00 50.24 C ATOM 4 CG GLU 170 2.307 38.294 82.869 1.00 50.24 C ATOM 5 CD GLU 170 3.291 37.577 83.781 1.00 50.24 C ATOM 6 OE1 GLU 170 4.161 36.830 83.254 1.00 50.24 O ATOM 7 OE2 GLU 170 3.187 37.768 85.020 1.00 50.24 O ATOM 8 C GLU 170 2.877 39.329 79.206 1.00 50.24 C ATOM 9 O GLU 170 2.751 38.665 78.178 1.00 50.24 O ATOM 10 N ARG 171 3.724 40.371 79.289 1.00 98.02 N ATOM 11 CA ARG 171 4.550 40.700 78.164 1.00 98.02 C ATOM 12 CB ARG 171 4.346 42.153 77.698 1.00 98.02 C ATOM 13 CG ARG 171 2.932 42.379 77.153 1.00 98.02 C ATOM 14 CD ARG 171 2.513 43.844 77.036 1.00 98.02 C ATOM 15 NE ARG 171 1.158 43.848 76.414 1.00 98.02 N ATOM 16 CZ ARG 171 0.047 43.669 77.184 1.00 98.02 C ATOM 17 NH1 ARG 171 0.166 43.528 78.536 1.00 98.02 N ATOM 18 NH2 ARG 171 -1.187 43.622 76.601 1.00 98.02 N ATOM 19 C ARG 171 5.969 40.524 78.605 1.00 98.02 C ATOM 20 O ARG 171 6.571 41.391 79.232 1.00 98.02 O ATOM 21 N PRO 172 6.494 39.377 78.287 1.00 84.28 N ATOM 22 CA PRO 172 7.835 39.026 78.666 1.00 84.28 C ATOM 23 CD PRO 172 5.649 38.204 78.135 1.00 84.28 C ATOM 24 CB PRO 172 7.908 37.499 78.614 1.00 84.28 C ATOM 25 CG PRO 172 6.639 37.066 77.859 1.00 84.28 C ATOM 26 C PRO 172 8.941 39.703 77.918 1.00 84.28 C ATOM 27 O PRO 172 10.074 39.652 78.394 1.00 84.28 O ATOM 28 N PHE 173 8.676 40.325 76.754 1.00 66.12 N ATOM 29 CA PHE 173 9.785 40.886 76.036 1.00 66.12 C ATOM 30 CB PHE 173 9.784 40.532 74.537 1.00 66.12 C ATOM 31 CG PHE 173 10.240 39.116 74.478 1.00 66.12 C ATOM 32 CD1 PHE 173 9.378 38.073 74.726 1.00 66.12 C ATOM 33 CD2 PHE 173 11.553 38.838 74.180 1.00 66.12 C ATOM 34 CE1 PHE 173 9.824 36.773 74.669 1.00 66.12 C ATOM 35 CE2 PHE 173 12.004 37.542 74.122 1.00 66.12 C ATOM 36 CZ PHE 173 11.138 36.506 74.369 1.00 66.12 C ATOM 37 C PHE 173 9.805 42.365 76.186 1.00 66.12 C ATOM 38 O PHE 173 8.815 43.045 75.922 1.00 66.12 O ATOM 39 N THR 174 10.966 42.912 76.605 1.00107.31 N ATOM 40 CA THR 174 11.033 44.325 76.820 1.00107.31 C ATOM 41 CB THR 174 11.416 44.706 78.223 0.50107.31 C ATOM 42 OG1 THR 174 12.743 44.288 78.505 1.00107.31 O ATOM 43 CG2 THR 174 10.438 44.032 79.199 1.00107.31 C ATOM 44 C THR 174 12.069 44.902 75.915 1.00107.31 C ATOM 45 O THR 174 13.070 44.263 75.591 1.00107.31 O ATOM 46 N CYS 175 11.834 46.152 75.470 1.00 83.93 N ATOM 47 CA CYS 175 12.790 46.799 74.628 1.00 83.93 C ATOM 48 CB CYS 175 12.183 47.824 73.654 1.00 83.93 C ATOM 49 SG CYS 175 11.450 49.253 74.499 1.00 83.93 S ATOM 50 C CYS 175 13.743 47.514 75.527 1.00 83.93 C ATOM 51 O CYS 175 13.360 48.086 76.545 1.00 83.93 O ATOM 52 N THR 176 15.032 47.471 75.162 1.00 39.92 N ATOM 53 CA THR 176 16.071 48.056 75.948 1.00 39.92 C ATOM 54 CB THR 176 17.429 47.764 75.387 1.00 39.92 C ATOM 55 OG1 THR 176 17.627 46.361 75.298 1.00 39.92 O ATOM 56 CG2 THR 176 18.494 48.395 76.300 1.00 39.92 C ATOM 57 C THR 176 15.912 49.543 75.983 1.00 39.92 C ATOM 58 O THR 176 16.178 50.170 77.009 1.00 39.92 O ATOM 59 N GLN 177 15.521 50.157 74.846 1.00118.50 N ATOM 60 CA GLN 177 15.493 51.594 74.818 1.00118.50 C ATOM 61 CB GLN 177 15.155 52.134 73.417 1.00118.50 C ATOM 62 CG GLN 177 15.957 51.489 72.283 1.00118.50 C ATOM 63 CD GLN 177 17.437 51.566 72.613 1.00118.50 C ATOM 64 OE1 GLN 177 17.903 52.530 73.215 1.00118.50 O ATOM 65 NE2 GLN 177 18.202 50.513 72.216 1.00118.50 N ATOM 66 C GLN 177 14.429 52.155 75.720 1.00118.50 C ATOM 67 O GLN 177 14.725 52.855 76.688 1.00118.50 O ATOM 68 N CYS 178 13.151 51.847 75.405 1.00102.11 N ATOM 69 CA CYS 178 12.013 52.348 76.129 1.00102.11 C ATOM 70 CB CYS 178 10.677 52.079 75.426 1.00102.11 C ATOM 71 SG CYS 178 10.584 52.765 73.755 1.00102.11 S ATOM 72 C CYS 178 11.870 51.647 77.436 1.00102.11 C ATOM 73 O CYS 178 11.607 52.260 78.469 1.00102.11 O ATOM 74 N GLY 179 12.046 50.316 77.409 1.00 26.49 N ATOM 75 CA GLY 179 11.776 49.545 78.578 1.00 26.49 C ATOM 76 C GLY 179 10.343 49.103 78.477 1.00 26.49 C ATOM 77 O GLY 179 9.786 48.549 79.422 1.00 26.49 O ATOM 78 N LYS 180 9.704 49.347 77.311 1.00 45.48 N ATOM 79 CA LYS 180 8.339 48.956 77.083 1.00 45.48 C ATOM 80 CB LYS 180 7.767 49.537 75.779 1.00 45.48 C ATOM 81 CG LYS 180 6.306 49.174 75.513 1.00 45.48 C ATOM 82 CD LYS 180 5.674 50.017 74.403 1.00 45.48 C ATOM 83 CE LYS 180 4.210 49.664 74.125 1.00 45.48 C ATOM 84 NZ LYS 180 3.682 50.524 73.042 1.00 45.48 N ATOM 85 C LYS 180 8.307 47.464 76.950 1.00 45.48 C ATOM 86 O LYS 180 9.282 46.859 76.509 1.00 45.48 O ATOM 87 N SER 181 7.179 46.829 77.331 1.00 39.02 N ATOM 88 CA SER 181 7.110 45.392 77.280 1.00 39.02 C ATOM 89 CB SER 181 6.668 44.759 78.605 1.00 39.02 C ATOM 90 OG SER 181 7.583 45.111 79.629 1.00 39.02 O ATOM 91 C SER 181 6.111 44.985 76.240 1.00 39.02 C ATOM 92 O SER 181 5.148 45.699 75.971 1.00 39.02 O ATOM 93 N PHE 182 6.324 43.801 75.627 1.00 51.90 N ATOM 94 CA PHE 182 5.459 43.365 74.568 1.00 51.90 C ATOM 95 CB PHE 182 6.129 43.424 73.187 1.00 51.90 C ATOM 96 CG PHE 182 6.460 44.848 72.888 1.00 51.90 C ATOM 97 CD1 PHE 182 7.615 45.417 73.377 1.00 51.90 C ATOM 98 CD2 PHE 182 5.622 45.616 72.112 1.00 51.90 C ATOM 99 CE1 PHE 182 7.926 46.728 73.103 1.00 51.90 C ATOM 100 CE2 PHE 182 5.927 46.928 71.836 1.00 51.90 C ATOM 101 CZ PHE 182 7.081 47.488 72.329 1.00 51.90 C ATOM 102 C PHE 182 5.058 41.941 74.796 1.00 51.90 C ATOM 103 O PHE 182 5.752 41.170 75.457 1.00 51.90 O ATOM 104 N ILE 183 3.890 41.583 74.225 1.00 41.62 N ATOM 105 CA ILE 183 3.284 40.285 74.306 1.00 41.62 C ATOM 106 CB ILE 183 1.955 40.236 73.611 1.00 41.62 C ATOM 107 CG1 ILE 183 0.974 41.248 74.223 1.00 41.62 C ATOM 108 CG2 ILE 183 1.454 38.784 73.655 1.00 41.62 C ATOM 109 CD1 ILE 183 -0.273 41.464 73.366 1.00 41.62 C ATOM 110 C ILE 183 4.150 39.282 73.606 1.00 41.62 C ATOM 111 O ILE 183 4.334 38.171 74.101 1.00 41.62 O ATOM 112 N ARG 184 4.694 39.626 72.421 1.00 93.15 N ATOM 113 CA ARG 184 5.458 38.624 71.728 1.00 93.15 C ATOM 114 CB ARG 184 4.752 38.055 70.483 1.00 93.15 C ATOM 115 CG ARG 184 3.464 37.297 70.821 1.00 93.15 C ATOM 116 CD ARG 184 2.760 36.679 69.608 1.00 93.15 C ATOM 117 NE ARG 184 3.427 35.378 69.321 1.00 93.15 N ATOM 118 CZ ARG 184 2.860 34.495 68.448 1.00 93.15 C ATOM 119 NH1 ARG 184 1.685 34.809 67.828 1.00 93.15 N ATOM 120 NH2 ARG 184 3.460 33.292 68.205 1.00 93.15 N ATOM 121 C ARG 184 6.767 39.194 71.290 1.00 93.15 C ATOM 122 O ARG 184 6.900 40.396 71.063 1.00 93.15 O ATOM 123 N SER 185 7.777 38.308 71.163 1.00 28.32 N ATOM 124 CA SER 185 9.114 38.678 70.798 1.00 28.32 C ATOM 125 CB SER 185 10.101 37.502 70.867 1.00 28.32 C ATOM 126 OG SER 185 9.746 36.511 69.915 1.00 28.32 O ATOM 127 C SER 185 9.129 39.191 69.396 1.00 28.32 C ATOM 128 O SER 185 9.913 40.076 69.061 1.00 28.32 O ATOM 129 N SER 186 8.258 38.644 68.530 1.00 61.22 N ATOM 130 CA SER 186 8.235 39.061 67.157 1.00 61.22 C ATOM 131 CB SER 186 7.154 38.323 66.348 1.00 61.22 C ATOM 132 OG SER 186 7.157 38.761 64.997 1.00 61.22 O ATOM 133 C SER 186 7.903 40.518 67.122 1.00 61.22 C ATOM 134 O SER 186 8.526 41.293 66.397 1.00 61.22 O ATOM 135 N TYR 187 6.911 40.928 67.933 1.00 81.47 N ATOM 136 CA TYR 187 6.469 42.292 67.942 1.00 81.47 C ATOM 137 CB TYR 187 5.267 42.522 68.871 1.00 81.47 C ATOM 138 CG TYR 187 4.763 43.896 68.597 1.00 81.47 C ATOM 139 CD1 TYR 187 5.315 44.989 69.223 1.00 81.47 C ATOM 140 CD2 TYR 187 3.741 44.094 67.695 1.00 81.47 C ATOM 141 CE1 TYR 187 4.847 46.257 68.959 1.00 81.47 C ATOM 142 CE2 TYR 187 3.270 45.358 67.428 1.00 81.47 C ATOM 143 CZ TYR 187 3.821 46.444 68.063 1.00 81.47 C ATOM 144 OH TYR 187 3.341 47.743 67.791 1.00 81.47 O ATOM 145 C TYR 187 7.580 43.160 68.439 1.00 81.47 C ATOM 146 O TYR 187 7.817 44.245 67.911 1.00 81.47 O ATOM 147 N LEU 188 8.291 42.714 69.491 1.00 96.12 N ATOM 148 CA LEU 188 9.319 43.550 70.038 1.00 96.12 C ATOM 149 CB LEU 188 9.938 42.987 71.339 0.50 96.12 C ATOM 150 CG LEU 188 10.906 43.935 72.090 0.50 96.12 C ATOM 151 CD1 LEU 188 11.275 43.363 73.463 0.50 96.12 C ATOM 152 CD2 LEU 188 12.174 44.263 71.284 0.50 96.12 C ATOM 153 C LEU 188 10.390 43.733 69.014 1.00 96.12 C ATOM 154 O LEU 188 10.912 44.834 68.862 1.00 96.12 O ATOM 155 N ASN 189 10.739 42.672 68.264 1.00 45.78 N ATOM 156 CA ASN 189 11.831 42.803 67.342 1.00 45.78 C ATOM 157 CB ASN 189 12.107 41.521 66.537 1.00 45.78 C ATOM 158 CG ASN 189 12.628 40.450 67.485 1.00 45.78 C ATOM 159 OD1 ASN 189 12.746 39.283 67.113 1.00 45.78 O ATOM 160 ND2 ASN 189 12.947 40.852 68.746 1.00 45.78 N ATOM 161 C ASN 189 11.517 43.882 66.356 1.00 45.78 C ATOM 162 O ASN 189 12.355 44.740 66.085 1.00 45.78 O ATOM 163 N LEU 190 10.293 43.881 65.798 1.00 32.04 N ATOM 164 CA LEU 190 9.957 44.885 64.833 1.00 32.04 C ATOM 165 CB LEU 190 8.573 44.684 64.191 1.00 32.04 C ATOM 166 CG LEU 190 8.486 43.440 63.288 1.00 32.04 C ATOM 167 CD1 LEU 190 7.108 43.340 62.616 1.00 32.04 C ATOM 168 CD2 LEU 190 9.639 43.410 62.271 1.00 32.04 C ATOM 169 C LEU 190 9.963 46.212 65.521 1.00 32.04 C ATOM 170 O LEU 190 10.394 47.214 64.955 1.00 32.04 O ATOM 171 N HIS 191 9.497 46.243 66.782 1.00 43.04 N ATOM 172 CA HIS 191 9.400 47.469 67.518 1.00 43.04 C ATOM 173 ND1 HIS 191 7.959 49.469 69.726 1.00 43.04 N ATOM 174 CG HIS 191 8.943 48.511 69.774 1.00 43.04 C ATOM 175 CB HIS 191 8.941 47.247 68.969 1.00 43.04 C ATOM 176 NE2 HIS 191 9.470 50.186 71.190 1.00 43.04 N ATOM 177 CD2 HIS 191 9.859 48.965 70.674 1.00 43.04 C ATOM 178 CE1 HIS 191 8.323 50.449 70.592 1.00 43.04 C ATOM 179 C HIS 191 10.746 48.110 67.595 1.00 43.04 C ATOM 180 O HIS 191 10.886 49.301 67.321 1.00 43.04 O ATOM 181 N MET 192 11.782 47.336 67.965 1.00 64.34 N ATOM 182 CA MET 192 13.079 47.929 68.086 1.00 64.34 C ATOM 183 CB MET 192 14.102 47.026 68.797 1.00 64.34 C ATOM 184 CG MET 192 14.381 45.705 68.080 1.00 64.34 C ATOM 185 SD MET 192 15.604 44.662 68.928 1.00 64.34 S ATOM 186 CE MET 192 15.252 43.164 67.966 1.00 64.34 C ATOM 187 C MET 192 13.603 48.237 66.691 1.00 64.34 C ATOM 188 O MET 192 13.870 49.441 66.425 1.00 64.34 O ATOM 189 OXT MET 192 13.748 47.286 65.880 1.00 64.34 O