EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:59 REMARK 6 MODELLER OBJECTIVE FUNCTION: 75.3637 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1503.59985 REMARK 6 GA341 score: 0.89118 REMARK 6 Normalized DOPE score: -0.39830 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 147 1.297 36.942 60.203 1.00 78.60 N ATOM 2 CA GLU 147 0.136 36.766 61.102 1.00 78.60 C ATOM 3 CB GLU 147 0.307 35.504 61.977 1.00 78.60 C ATOM 4 CG GLU 147 0.133 34.181 61.221 1.00 78.60 C ATOM 5 CD GLU 147 -1.355 33.987 60.939 1.00 78.60 C ATOM 6 OE1 GLU 147 -2.103 34.999 61.008 1.00 78.60 O ATOM 7 OE2 GLU 147 -1.766 32.831 60.651 1.00 78.60 O ATOM 8 C GLU 147 -0.033 37.945 62.002 1.00 78.60 C ATOM 9 O GLU 147 0.682 38.941 61.894 1.00 78.60 O ATOM 10 N LYS 148 -1.033 37.868 62.901 1.00 55.45 N ATOM 11 CA LYS 148 -1.250 38.940 63.825 1.00 55.45 C ATOM 12 CB LYS 148 -2.646 39.562 63.688 1.00 55.45 C ATOM 13 CG LYS 148 -2.980 40.019 62.268 1.00 55.45 C ATOM 14 CD LYS 148 -4.466 40.306 62.064 1.00 55.45 C ATOM 15 CE LYS 148 -4.807 40.758 60.643 1.00 55.45 C ATOM 16 NZ LYS 148 -6.265 40.961 60.508 1.00 55.45 N ATOM 17 C LYS 148 -1.205 38.323 65.184 1.00 55.45 C ATOM 18 O LYS 148 -2.228 37.915 65.729 1.00 55.45 O ATOM 19 N PRO 149 -0.030 38.237 65.737 1.00 87.61 N ATOM 20 CA PRO 149 0.124 37.635 67.034 1.00 87.61 C ATOM 21 CD PRO 149 1.155 38.048 64.917 1.00 87.61 C ATOM 22 CB PRO 149 1.591 37.213 67.142 1.00 87.61 C ATOM 23 CG PRO 149 2.286 37.875 65.940 1.00 87.61 C ATOM 24 C PRO 149 -0.349 38.418 68.217 1.00 87.61 C ATOM 25 O PRO 149 -0.502 37.815 69.277 1.00 87.61 O ATOM 26 N PHE 150 -0.571 39.740 68.096 1.00 68.50 N ATOM 27 CA PHE 150 -0.918 40.464 69.287 1.00 68.50 C ATOM 28 CB PHE 150 -0.108 41.758 69.464 1.00 68.50 C ATOM 29 CG PHE 150 1.267 41.299 69.815 1.00 68.50 C ATOM 30 CD1 PHE 150 2.091 40.744 68.860 1.00 68.50 C ATOM 31 CD2 PHE 150 1.731 41.427 71.104 1.00 68.50 C ATOM 32 CE1 PHE 150 3.357 40.318 69.189 1.00 68.50 C ATOM 33 CE2 PHE 150 2.995 41.005 71.443 1.00 68.50 C ATOM 34 CZ PHE 150 3.807 40.451 70.481 1.00 68.50 C ATOM 35 C PHE 150 -2.372 40.787 69.290 1.00 68.50 C ATOM 36 O PHE 150 -2.892 41.388 68.353 1.00 68.50 O ATOM 37 N THR 151 -3.063 40.405 70.384 1.00104.08 N ATOM 38 CA THR 151 -4.476 40.616 70.457 1.00104.08 C ATOM 39 CB THR 151 -5.236 39.340 70.635 0.50104.08 C ATOM 40 OG1 THR 151 -4.883 38.743 71.874 1.00104.08 O ATOM 41 CG2 THR 151 -4.872 38.396 69.474 1.00104.08 C ATOM 42 C THR 151 -4.784 41.491 71.630 1.00104.08 C ATOM 43 O THR 151 -4.127 41.433 72.670 1.00104.08 O ATOM 44 N CYS 152 -5.815 42.340 71.470 1.00 35.62 N ATOM 45 CA CYS 152 -6.205 43.222 72.528 1.00 35.62 C ATOM 46 CB CYS 152 -6.735 44.575 72.014 1.00 35.62 C ATOM 47 SG CYS 152 -7.230 45.716 73.339 1.00 35.62 S ATOM 48 C CYS 152 -7.295 42.526 73.281 1.00 35.62 C ATOM 49 O CYS 152 -8.208 41.949 72.695 1.00 35.62 O ATOM 50 N THR 153 -7.200 42.545 74.623 1.00107.90 N ATOM 51 CA THR 153 -8.134 41.861 75.468 1.00107.90 C ATOM 52 CB THR 153 -7.739 41.899 76.916 1.00107.90 C ATOM 53 OG1 THR 153 -7.681 43.244 77.366 1.00107.90 O ATOM 54 CG2 THR 153 -6.366 41.222 77.081 1.00107.90 C ATOM 55 C THR 153 -9.499 42.469 75.363 1.00107.90 C ATOM 56 O THR 153 -10.502 41.757 75.387 1.00107.90 O ATOM 57 N GLN 154 -9.582 43.811 75.297 1.00139.27 N ATOM 58 CA GLN 154 -10.881 44.421 75.294 1.00139.27 C ATOM 59 CB GLN 154 -10.781 45.957 75.327 1.00139.27 C ATOM 60 CG GLN 154 -12.125 46.696 75.320 1.00139.27 C ATOM 61 CD GLN 154 -12.672 46.778 76.739 1.00139.27 C ATOM 62 OE1 GLN 154 -12.212 46.076 77.637 1.00139.27 O ATOM 63 NE2 GLN 154 -13.684 47.664 76.951 1.00139.27 N ATOM 64 C GLN 154 -11.653 44.078 74.054 1.00139.27 C ATOM 65 O GLN 154 -12.703 43.442 74.124 1.00139.27 O ATOM 66 N CYS 155 -11.132 44.499 72.884 1.00 56.47 N ATOM 67 CA CYS 155 -11.773 44.308 71.608 1.00 56.47 C ATOM 68 CB CYS 155 -11.214 45.250 70.529 1.00 56.47 C ATOM 69 SG CYS 155 -9.424 45.058 70.292 1.00 56.47 S ATOM 70 C CYS 155 -11.638 42.900 71.117 1.00 56.47 C ATOM 71 O CYS 155 -12.571 42.351 70.532 1.00 56.47 O ATOM 72 N GLY 156 -10.458 42.280 71.329 1.00 22.10 N ATOM 73 CA GLY 156 -10.230 40.941 70.860 1.00 22.10 C ATOM 74 C GLY 156 -9.661 41.005 69.470 1.00 22.10 C ATOM 75 O GLY 156 -9.502 39.983 68.804 1.00 22.10 O ATOM 76 N LYS 157 -9.332 42.220 68.994 1.00 46.99 N ATOM 77 CA LYS 157 -8.798 42.388 67.674 1.00 46.99 C ATOM 78 CB LYS 157 -8.915 43.835 67.179 1.00 46.99 C ATOM 79 CG LYS 157 -8.544 44.014 65.711 1.00 46.99 C ATOM 80 CD LYS 157 -9.082 45.319 65.127 1.00 46.99 C ATOM 81 CE LYS 157 -8.717 45.535 63.661 1.00 46.99 C ATOM 82 NZ LYS 157 -9.344 46.783 63.172 1.00 46.99 N ATOM 83 C LYS 157 -7.352 42.008 67.689 1.00 46.99 C ATOM 84 O LYS 157 -6.674 42.156 68.704 1.00 46.99 O ATOM 85 N SER 158 -6.849 41.493 66.548 1.00 80.82 N ATOM 86 CA SER 158 -5.481 41.059 66.472 1.00 80.82 C ATOM 87 CB SER 158 -5.333 39.671 65.827 1.00 80.82 C ATOM 88 OG SER 158 -5.771 39.716 64.476 1.00 80.82 O ATOM 89 C SER 158 -4.723 42.027 65.613 1.00 80.82 C ATOM 90 O SER 158 -5.258 42.582 64.656 1.00 80.82 O ATOM 91 N PHE 159 -3.434 42.256 65.939 1.00 66.18 N ATOM 92 CA PHE 159 -2.658 43.197 65.183 1.00 66.18 C ATOM 93 CB PHE 159 -2.327 44.479 65.964 1.00 66.18 C ATOM 94 CG PHE 159 -3.600 45.211 66.234 1.00 66.18 C ATOM 95 CD1 PHE 159 -4.452 44.799 67.232 1.00 66.18 C ATOM 96 CD2 PHE 159 -3.939 46.325 65.502 1.00 66.18 C ATOM 97 CE1 PHE 159 -5.620 45.481 67.489 1.00 66.18 C ATOM 98 CE2 PHE 159 -5.105 47.010 65.757 1.00 66.18 C ATOM 99 CZ PHE 159 -5.957 46.587 66.748 1.00 66.18 C ATOM 100 C PHE 159 -1.354 42.571 64.788 1.00 66.18 C ATOM 101 O PHE 159 -0.840 41.666 65.445 1.00 66.18 O ATOM 102 N SER 160 -0.805 43.051 63.654 1.00 78.54 N ATOM 103 CA SER 160 0.430 42.586 63.095 1.00 78.54 C ATOM 104 CB SER 160 0.668 43.147 61.682 1.00 78.54 C ATOM 105 OG SER 160 -0.403 42.792 60.821 1.00 78.54 O ATOM 106 C SER 160 1.575 43.042 63.951 1.00 78.54 C ATOM 107 O SER 160 2.589 42.350 64.054 1.00 78.54 O ATOM 108 N GLN 161 1.451 44.224 64.591 1.00121.51 N ATOM 109 CA GLN 161 2.567 44.743 65.339 1.00121.51 C ATOM 110 CB GLN 161 3.042 46.113 64.835 1.00121.51 C ATOM 111 CG GLN 161 4.164 46.723 65.672 1.00121.51 C ATOM 112 CD GLN 161 5.416 45.908 65.421 1.00121.51 C ATOM 113 OE1 GLN 161 6.327 46.351 64.726 1.00121.51 O ATOM 114 NE2 GLN 161 5.462 44.675 65.994 1.00121.51 N ATOM 115 C GLN 161 2.195 44.924 66.778 1.00121.51 C ATOM 116 O GLN 161 1.100 45.376 67.105 1.00121.51 O ATOM 117 N SER 162 3.131 44.569 67.681 1.00 32.48 N ATOM 118 CA SER 162 2.914 44.668 69.095 1.00 32.48 C ATOM 119 CB SER 162 4.045 44.016 69.902 1.00 32.48 C ATOM 120 OG SER 162 5.272 44.682 69.644 1.00 32.48 O ATOM 121 C SER 162 2.822 46.107 69.508 1.00 32.48 C ATOM 122 O SER 162 2.003 46.471 70.351 1.00 32.48 O ATOM 123 N SER 163 3.671 46.967 68.917 1.00 63.78 N ATOM 124 CA SER 163 3.694 48.353 69.287 1.00 63.78 C ATOM 125 CB SER 163 4.746 49.158 68.505 1.00 63.78 C ATOM 126 OG SER 163 6.039 48.612 68.714 1.00 63.78 O ATOM 127 C SER 163 2.370 48.942 68.934 1.00 63.78 C ATOM 128 O SER 163 1.810 49.746 69.678 1.00 63.78 O ATOM 129 N TYR 164 1.840 48.528 67.771 1.00127.04 N ATOM 130 CA TYR 164 0.616 49.055 67.250 1.00127.04 C ATOM 131 CB TYR 164 0.311 48.494 65.850 1.00127.04 C ATOM 132 CG TYR 164 -0.641 49.411 65.156 1.00127.04 C ATOM 133 CD1 TYR 164 -0.186 50.626 64.693 1.00127.04 C ATOM 134 CD2 TYR 164 -1.957 49.074 64.934 1.00127.04 C ATOM 135 CE1 TYR 164 -1.021 51.499 64.037 1.00127.04 C ATOM 136 CE2 TYR 164 -2.802 49.940 64.276 1.00127.04 C ATOM 137 CZ TYR 164 -2.332 51.151 63.827 1.00127.04 C ATOM 138 OH TYR 164 -3.193 52.039 63.150 1.00127.04 O ATOM 139 C TYR 164 -0.475 48.655 68.190 1.00127.04 C ATOM 140 O TYR 164 -1.385 49.430 68.478 1.00127.04 O ATOM 141 N LEU 165 -0.419 47.411 68.696 1.00 46.19 N ATOM 142 CA LEU 165 -1.442 46.962 69.593 1.00 46.19 C ATOM 143 CB LEU 165 -1.319 45.473 69.954 0.50 46.19 C ATOM 144 CG LEU 165 -2.417 45.013 70.928 0.50 46.19 C ATOM 145 CD1 LEU 165 -3.809 45.238 70.320 0.50 46.19 C ATOM 146 CD2 LEU 165 -2.209 43.561 71.379 0.50 46.19 C ATOM 147 C LEU 165 -1.412 47.753 70.869 1.00 46.19 C ATOM 148 O LEU 165 -2.455 48.180 71.360 1.00 46.19 O ATOM 149 N ASN 166 -0.217 48.009 71.435 1.00 47.93 N ATOM 150 CA ASN 166 -0.162 48.694 72.696 1.00 47.93 C ATOM 151 CB ASN 166 1.261 48.808 73.261 1.00 47.93 C ATOM 152 CG ASN 166 1.608 47.434 73.823 1.00 47.93 C ATOM 153 OD1 ASN 166 1.954 46.513 73.084 1.00 47.93 O ATOM 154 ND2 ASN 166 1.497 47.285 75.170 1.00 47.93 N ATOM 155 C ASN 166 -0.766 50.055 72.562 1.00 47.93 C ATOM 156 O ASN 166 -1.505 50.502 73.440 1.00 47.93 O ATOM 157 N LEU 167 -0.485 50.752 71.452 1.00 30.59 N ATOM 158 CA LEU 167 -1.057 52.049 71.262 1.00 30.59 C ATOM 159 CB LEU 167 -0.589 52.722 69.962 1.00 30.59 C ATOM 160 CG LEU 167 0.888 53.157 69.984 1.00 30.59 C ATOM 161 CD1 LEU 167 1.291 53.842 68.669 1.00 30.59 C ATOM 162 CD2 LEU 167 1.171 54.051 71.198 1.00 30.59 C ATOM 163 C LEU 167 -2.540 51.888 71.187 1.00 30.59 C ATOM 164 O LEU 167 -3.289 52.693 71.741 1.00 30.59 O ATOM 165 N HIS 168 -3.007 50.820 70.517 1.00 45.24 N ATOM 166 CA HIS 168 -4.417 50.630 70.357 1.00 45.24 C ATOM 167 ND1 HIS 168 -7.071 49.792 68.655 1.00 45.24 N ATOM 168 CG HIS 168 -6.239 49.090 69.500 1.00 45.24 C ATOM 169 CB HIS 168 -4.762 49.326 69.616 1.00 45.24 C ATOM 170 NE2 HIS 168 -8.351 48.335 69.745 1.00 45.24 N ATOM 171 CD2 HIS 168 -7.036 48.206 70.157 1.00 45.24 C ATOM 172 CE1 HIS 168 -8.321 49.301 68.844 1.00 45.24 C ATOM 173 C HIS 168 -5.040 50.547 71.709 1.00 45.24 C ATOM 174 O HIS 168 -6.052 51.194 71.973 1.00 45.24 O ATOM 175 N MET 169 -4.449 49.751 72.613 1.00 40.47 N ATOM 176 CA MET 169 -5.051 49.662 73.907 1.00 40.47 C ATOM 177 CB MET 169 -4.344 48.694 74.857 1.00 40.47 C ATOM 178 CG MET 169 -4.516 47.234 74.452 1.00 40.47 C ATOM 179 SD MET 169 -3.686 46.052 75.546 1.00 40.47 S ATOM 180 CE MET 169 -2.009 46.539 75.052 1.00 40.47 C ATOM 181 C MET 169 -4.989 51.032 74.557 1.00 40.47 C ATOM 182 O MET 169 -5.646 51.209 75.618 1.00 40.47 O ATOM 183 OXT MET 169 -4.283 51.919 74.011 1.00 40.47 O