EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:13 REMARK 6 MODELLER OBJECTIVE FUNCTION: 110.3636 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 65.385 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1755.89563 REMARK 6 GA341 score: 0.99958 REMARK 6 Normalized DOPE score: -0.90783 REMARK 6 TEMPLATE: 2i13A02 75:A - 100:A MODELS 1: - 26: AT 65.4% ATOM 1 N GLU 147 -7.359 38.653 56.176 1.00 31.10 N ATOM 2 CA GLU 147 -7.763 37.394 55.511 1.00 31.10 C ATOM 3 CB GLU 147 -7.595 37.534 53.989 1.00 31.10 C ATOM 4 CG GLU 147 -8.245 36.404 53.190 1.00 31.10 C ATOM 5 CD GLU 147 -8.064 36.738 51.719 1.00 31.10 C ATOM 6 OE1 GLU 147 -7.360 37.736 51.422 1.00 31.10 O ATOM 7 OE2 GLU 147 -8.638 35.999 50.871 1.00 31.10 O ATOM 8 C GLU 147 -6.908 36.274 56.001 1.00 31.10 C ATOM 9 O GLU 147 -5.708 36.449 56.210 1.00 31.10 O ATOM 10 N LYS 148 -7.508 35.083 56.216 1.00 52.61 N ATOM 11 CA LYS 148 -6.728 33.980 56.706 1.00 52.61 C ATOM 12 CB LYS 148 -7.309 33.366 57.988 1.00 52.61 C ATOM 13 CG LYS 148 -7.332 34.319 59.188 1.00 52.61 C ATOM 14 CD LYS 148 -8.220 33.822 60.334 1.00 52.61 C ATOM 15 CE LYS 148 -8.232 34.755 61.546 1.00 52.61 C ATOM 16 NZ LYS 148 -8.941 34.112 62.677 1.00 52.61 N ATOM 17 C LYS 148 -6.771 32.896 55.675 1.00 52.61 C ATOM 18 O LYS 148 -7.623 32.012 55.711 1.00 52.61 O ATOM 19 N PRO 149 -5.857 32.969 54.750 1.00111.56 N ATOM 20 CA PRO 149 -5.817 31.986 53.704 1.00111.56 C ATOM 21 CD PRO 149 -5.475 34.279 54.251 1.00111.56 C ATOM 22 CB PRO 149 -5.042 32.619 52.554 1.00111.56 C ATOM 23 CG PRO 149 -5.292 34.122 52.738 1.00111.56 C ATOM 24 C PRO 149 -5.330 30.617 54.047 1.00111.56 C ATOM 25 O PRO 149 -5.625 29.704 53.279 1.00111.56 O ATOM 26 N PHE 150 -4.579 30.425 55.147 1.00 59.93 N ATOM 27 CA PHE 150 -4.061 29.106 55.373 1.00 59.93 C ATOM 28 CB PHE 150 -2.608 29.115 55.879 1.00 59.93 C ATOM 29 CG PHE 150 -1.802 29.583 54.718 1.00 59.93 C ATOM 30 CD1 PHE 150 -1.398 28.684 53.757 1.00 59.93 C ATOM 31 CD2 PHE 150 -1.470 30.909 54.580 1.00 59.93 C ATOM 32 CE1 PHE 150 -0.658 29.088 52.675 1.00 59.93 C ATOM 33 CE2 PHE 150 -0.728 31.320 53.498 1.00 59.93 C ATOM 34 CZ PHE 150 -0.323 30.412 52.548 1.00 59.93 C ATOM 35 C PHE 150 -4.928 28.390 56.356 1.00 59.93 C ATOM 36 O PHE 150 -5.054 28.799 57.510 1.00 59.93 O ATOM 37 N THR 151 -5.537 27.268 55.916 1.00 38.23 N ATOM 38 CA THR 151 -6.441 26.569 56.783 1.00 38.23 C ATOM 39 CB THR 151 -7.812 26.397 56.200 1.00 38.23 C ATOM 40 OG1 THR 151 -8.368 27.660 55.866 1.00 38.23 O ATOM 41 CG2 THR 151 -8.704 25.707 57.243 1.00 38.23 C ATOM 42 C THR 151 -5.888 25.210 57.074 1.00 38.23 C ATOM 43 O THR 151 -5.279 24.567 56.219 1.00 38.23 O ATOM 44 N CYS 152 -6.071 24.756 58.329 1.00 46.29 N ATOM 45 CA CYS 152 -5.582 23.478 58.762 1.00 46.29 C ATOM 46 CB CYS 152 -5.391 23.408 60.288 1.00 46.29 C ATOM 47 SG CYS 152 -4.778 21.794 60.856 1.00 46.29 S ATOM 48 C CYS 152 -6.562 22.428 58.352 1.00 46.29 C ATOM 49 O CYS 152 -7.757 22.523 58.632 1.00 46.29 O ATOM 50 N PRO 153 -6.077 21.414 57.685 1.00 74.03 N ATOM 51 CA PRO 153 -6.944 20.362 57.240 1.00 74.03 C ATOM 52 CD PRO 153 -4.918 21.565 56.818 1.00 74.03 C ATOM 53 CB PRO 153 -6.105 19.519 56.282 1.00 74.03 C ATOM 54 CG PRO 153 -5.099 20.525 55.698 1.00 74.03 C ATOM 55 C PRO 153 -7.558 19.585 58.363 1.00 74.03 C ATOM 56 O PRO 153 -8.655 19.056 58.181 1.00 74.03 O ATOM 57 N GLN 154 -6.856 19.440 59.504 1.00153.42 N ATOM 58 CA GLN 154 -7.438 18.644 60.546 1.00153.42 C ATOM 59 CB GLN 154 -6.436 18.321 61.667 1.00153.42 C ATOM 60 CG GLN 154 -5.243 17.482 61.206 1.00153.42 C ATOM 61 CD GLN 154 -5.771 16.142 60.707 1.00153.42 C ATOM 62 OE1 GLN 154 -6.693 15.573 61.288 1.00153.42 O ATOM 63 NE2 GLN 154 -5.186 15.630 59.588 1.00153.42 N ATOM 64 C GLN 154 -8.611 19.317 61.205 1.00153.42 C ATOM 65 O GLN 154 -9.724 18.794 61.183 1.00153.42 O ATOM 66 N CYS 155 -8.361 20.485 61.843 1.00 73.17 N ATOM 67 CA CYS 155 -9.337 21.250 62.581 1.00 73.17 C ATOM 68 CB CYS 155 -8.701 22.122 63.680 1.00 73.17 C ATOM 69 SG CYS 155 -7.362 23.185 63.068 1.00 73.17 S ATOM 70 C CYS 155 -10.215 22.122 61.733 1.00 73.17 C ATOM 71 O CYS 155 -11.403 22.265 62.015 1.00 73.17 O ATOM 72 N GLY 156 -9.663 22.744 60.674 1.00 29.10 N ATOM 73 CA GLY 156 -10.443 23.661 59.892 1.00 29.10 C ATOM 74 C GLY 156 -10.119 25.068 60.306 1.00 29.10 C ATOM 75 O GLY 156 -10.651 26.024 59.740 1.00 29.10 O ATOM 76 N LYS 157 -9.226 25.242 61.303 1.00127.30 N ATOM 77 CA LYS 157 -8.857 26.558 61.753 1.00127.30 C ATOM 78 CB LYS 157 -8.018 26.572 63.042 1.00127.30 C ATOM 79 CG LYS 157 -7.545 27.983 63.411 1.00127.30 C ATOM 80 CD LYS 157 -6.959 28.126 64.819 1.00127.30 C ATOM 81 CE LYS 157 -6.859 26.812 65.590 1.00127.30 C ATOM 82 NZ LYS 157 -8.186 26.440 66.123 1.00127.30 N ATOM 83 C LYS 157 -8.036 27.245 60.701 1.00127.30 C ATOM 84 O LYS 157 -7.214 26.627 60.025 1.00127.30 O ATOM 85 N SER 158 -8.224 28.575 60.552 1.00100.31 N ATOM 86 CA SER 158 -7.504 29.284 59.531 1.00100.31 C ATOM 87 CB SER 158 -8.430 29.958 58.500 1.00100.31 C ATOM 88 OG SER 158 -9.339 30.816 59.163 1.00100.31 O ATOM 89 C SER 158 -6.596 30.301 60.161 1.00100.31 C ATOM 90 O SER 158 -6.859 30.811 61.248 1.00100.31 O ATOM 91 N PHE 159 -5.471 30.605 59.475 1.00147.96 N ATOM 92 CA PHE 159 -4.465 31.485 60.009 1.00147.96 C ATOM 93 CB PHE 159 -3.170 30.737 60.366 1.00147.96 C ATOM 94 CG PHE 159 -3.457 29.717 61.418 1.00147.96 C ATOM 95 CD1 PHE 159 -3.907 28.464 61.068 1.00147.96 C ATOM 96 CD2 PHE 159 -3.291 30.014 62.751 1.00147.96 C ATOM 97 CE1 PHE 159 -4.174 27.513 62.025 1.00147.96 C ATOM 98 CE2 PHE 159 -3.557 29.066 63.708 1.00147.96 C ATOM 99 CZ PHE 159 -3.998 27.815 63.350 1.00147.96 C ATOM 100 C PHE 159 -4.069 32.483 58.961 1.00147.96 C ATOM 101 O PHE 159 -4.160 32.223 57.760 1.00147.96 O ATOM 102 N SER 160 -3.638 33.679 59.404 1.00 41.60 N ATOM 103 CA SER 160 -3.190 34.707 58.507 1.00 41.60 C ATOM 104 CB SER 160 -3.164 36.104 59.155 1.00 41.60 C ATOM 105 OG SER 160 -2.232 36.133 60.226 1.00 41.60 O ATOM 106 C SER 160 -1.812 34.377 58.017 1.00 41.60 C ATOM 107 O SER 160 -1.416 34.786 56.924 1.00 41.60 O ATOM 108 N GLN 161 -1.042 33.614 58.817 1.00 44.04 N ATOM 109 CA GLN 161 0.322 33.371 58.443 1.00 44.04 C ATOM 110 CB GLN 161 1.324 33.954 59.459 1.00 44.04 C ATOM 111 CG GLN 161 1.247 35.480 59.596 1.00 44.04 C ATOM 112 CD GLN 161 2.249 35.908 60.661 1.00 44.04 C ATOM 113 OE1 GLN 161 3.456 35.743 60.499 1.00 44.04 O ATOM 114 NE2 GLN 161 1.739 36.472 61.789 1.00 44.04 N ATOM 115 C GLN 161 0.571 31.897 58.350 1.00 44.04 C ATOM 116 O GLN 161 0.061 31.101 59.137 1.00 44.04 O ATOM 117 N SER 162 1.392 31.511 57.351 1.00 31.59 N ATOM 118 CA SER 162 1.734 30.144 57.105 1.00 31.59 C ATOM 119 CB SER 162 2.582 29.962 55.836 1.00 31.59 C ATOM 120 OG SER 162 1.812 30.313 54.696 1.00 31.59 O ATOM 121 C SER 162 2.531 29.629 58.261 1.00 31.59 C ATOM 122 O SER 162 2.381 28.475 58.652 1.00 31.59 O ATOM 123 N SER 163 3.391 30.486 58.843 1.00 72.55 N ATOM 124 CA SER 163 4.263 30.074 59.903 1.00 72.55 C ATOM 125 CB SER 163 5.161 31.231 60.377 1.00 72.55 C ATOM 126 OG SER 163 5.958 31.697 59.294 1.00 72.55 O ATOM 127 C SER 163 3.433 29.611 61.059 1.00 72.55 C ATOM 128 O SER 163 3.708 28.562 61.642 1.00 72.55 O ATOM 129 N ASN 164 2.379 30.377 61.405 1.00 36.51 N ATOM 130 CA ASN 164 1.538 30.058 62.522 1.00 36.51 C ATOM 131 CB ASN 164 0.443 31.114 62.763 1.00 36.51 C ATOM 132 CG ASN 164 1.115 32.384 63.256 1.00 36.51 C ATOM 133 OD1 ASN 164 1.859 32.368 64.234 1.00 36.51 O ATOM 134 ND2 ASN 164 0.845 33.520 62.557 1.00 36.51 N ATOM 135 C ASN 164 0.846 28.757 62.258 1.00 36.51 C ATOM 136 O ASN 164 0.727 27.916 63.145 1.00 36.51 O ATOM 137 N LEU 165 0.367 28.558 61.019 1.00115.42 N ATOM 138 CA LEU 165 -0.338 27.356 60.674 1.00115.42 C ATOM 139 CB LEU 165 -0.954 27.455 59.260 1.00115.42 C ATOM 140 CG LEU 165 -1.561 26.154 58.705 1.00115.42 C ATOM 141 CD1 LEU 165 -0.462 25.243 58.142 1.00115.42 C ATOM 142 CD2 LEU 165 -2.445 25.441 59.743 1.00115.42 C ATOM 143 C LEU 165 0.580 26.173 60.784 1.00115.42 C ATOM 144 O LEU 165 0.195 25.123 61.297 1.00115.42 O ATOM 145 N ASN 166 1.844 26.316 60.340 1.00 75.34 N ATOM 146 CA ASN 166 2.769 25.216 60.358 1.00 75.34 C ATOM 147 CB ASN 166 4.148 25.593 59.778 1.00 75.34 C ATOM 148 CG ASN 166 5.035 24.352 59.735 1.00 75.34 C ATOM 149 OD1 ASN 166 5.673 23.988 60.723 1.00 75.34 O ATOM 150 ND2 ASN 166 5.062 23.671 58.559 1.00 75.34 N ATOM 151 C ASN 166 2.972 24.754 61.766 1.00 75.34 C ATOM 152 O ASN 166 2.989 23.552 62.030 1.00 75.34 O ATOM 153 N LEU 167 3.128 25.695 62.715 1.00 75.36 N ATOM 154 CA LEU 167 3.354 25.291 64.070 1.00 75.36 C ATOM 155 CB LEU 167 3.718 26.471 64.998 1.00 75.36 C ATOM 156 CG LEU 167 3.979 26.089 66.470 1.00 75.36 C ATOM 157 CD1 LEU 167 2.681 25.728 67.215 1.00 75.36 C ATOM 158 CD2 LEU 167 5.064 25.003 66.573 1.00 75.36 C ATOM 159 C LEU 167 2.118 24.596 64.557 1.00 75.36 C ATOM 160 O LEU 167 2.208 23.594 65.265 1.00 75.36 O ATOM 161 N HIS 168 0.930 25.093 64.157 1.00 56.67 N ATOM 162 CA HIS 168 -0.329 24.561 64.605 1.00 56.67 C ATOM 163 ND1 HIS 168 -3.330 24.934 65.774 1.00 56.67 N ATOM 164 CG HIS 168 -2.848 24.758 64.494 1.00 56.67 C ATOM 165 CB HIS 168 -1.536 25.303 64.004 1.00 56.67 C ATOM 166 NE2 HIS 168 -4.845 23.723 64.687 1.00 56.67 N ATOM 167 CD2 HIS 168 -3.788 24.016 63.844 1.00 56.67 C ATOM 168 CE1 HIS 168 -4.525 24.294 65.835 1.00 56.67 C ATOM 169 C HIS 168 -0.448 23.123 64.203 1.00 56.67 C ATOM 170 O HIS 168 -0.892 22.292 64.998 1.00 56.67 O ATOM 171 N ILE 169 -0.014 22.784 62.976 1.00 94.66 N ATOM 172 CA ILE 169 -0.122 21.441 62.468 1.00 94.66 C ATOM 173 CB ILE 169 0.557 21.253 61.135 1.00 94.66 C ATOM 174 CG1 ILE 169 -0.208 21.933 59.984 1.00 94.66 C ATOM 175 CG2 ILE 169 0.802 19.746 60.937 1.00 94.66 C ATOM 176 CD1 ILE 169 -1.549 21.278 59.655 1.00 94.66 C ATOM 177 C ILE 169 0.583 20.512 63.404 1.00 94.66 C ATOM 178 O ILE 169 0.098 19.418 63.685 1.00 94.66 O ATOM 179 N ARG 170 1.749 20.926 63.920 1.00 97.31 N ATOM 180 CA ARG 170 2.536 20.069 64.756 1.00 97.31 C ATOM 181 CB ARG 170 3.865 20.724 65.144 1.00 97.31 C ATOM 182 CG ARG 170 4.822 20.803 63.954 1.00 97.31 C ATOM 183 CD ARG 170 5.963 21.787 64.186 1.00 97.31 C ATOM 184 NE ARG 170 6.075 21.955 65.661 1.00 97.31 N ATOM 185 CZ ARG 170 7.237 22.388 66.228 1.00 97.31 C ATOM 186 NH1 ARG 170 8.317 22.683 65.445 1.00 97.31 N ATOM 187 NH2 ARG 170 7.310 22.523 67.585 1.00 97.31 N ATOM 188 C ARG 170 1.763 19.697 65.986 1.00 97.31 C ATOM 189 O ARG 170 1.871 18.573 66.474 1.00 97.31 O ATOM 190 N ILE 171 0.931 20.618 66.506 1.00 82.61 N ATOM 191 CA ILE 171 0.198 20.344 67.710 1.00 82.61 C ATOM 192 CB ILE 171 -0.717 21.467 68.111 1.00 82.61 C ATOM 193 CG1 ILE 171 0.099 22.659 68.631 1.00 82.61 C ATOM 194 CG2 ILE 171 -1.751 20.917 69.107 1.00 82.61 C ATOM 195 CD1 ILE 171 0.907 22.315 69.882 1.00 82.61 C ATOM 196 C ILE 171 -0.643 19.127 67.511 1.00 82.61 C ATOM 197 O ILE 171 -0.737 18.292 68.410 1.00 82.61 O ATOM 198 N HIS 172 -1.286 18.987 66.338 1.00 35.47 N ATOM 199 CA HIS 172 -2.095 17.822 66.152 1.00 35.47 C ATOM 200 ND1 HIS 172 -4.468 19.473 65.453 1.00 35.47 N ATOM 201 CG HIS 172 -3.640 18.911 64.507 1.00 35.47 C ATOM 202 CB HIS 172 -2.761 17.732 64.773 1.00 35.47 C ATOM 203 NE2 HIS 172 -4.745 20.645 63.587 1.00 35.47 N ATOM 204 CD2 HIS 172 -3.822 19.636 63.373 1.00 35.47 C ATOM 205 CE1 HIS 172 -5.103 20.508 64.850 1.00 35.47 C ATOM 206 C HIS 172 -1.197 16.604 66.306 1.00 35.47 C ATOM 207 O HIS 172 -1.434 15.811 67.253 1.00 35.47 O ATOM 208 OXT HIS 172 -0.257 16.456 65.479 1.00 35.47 O