EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:47 REMARK 6 MODELLER OBJECTIVE FUNCTION: 86.6065 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1308.45898 REMARK 6 GA341 score: 0.99413 REMARK 6 Normalized DOPE score: -1.15996 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 157 -12.834 16.681 46.808 1.00 61.11 N ATOM 2 CA GLU 157 -13.842 17.747 46.623 1.00 61.11 C ATOM 3 CB GLU 157 -14.714 17.875 47.880 1.00 61.11 C ATOM 4 CG GLU 157 -15.537 16.619 48.166 1.00 61.11 C ATOM 5 CD GLU 157 -16.241 16.820 49.496 1.00 61.11 C ATOM 6 OE1 GLU 157 -15.590 16.576 50.547 1.00 61.11 O ATOM 7 OE2 GLU 157 -17.432 17.227 49.483 1.00 61.11 O ATOM 8 C GLU 157 -13.161 19.053 46.391 1.00 61.11 C ATOM 9 O GLU 157 -11.957 19.101 46.147 1.00 61.11 O ATOM 10 N ARG 158 -13.927 20.158 46.440 1.00 67.87 N ATOM 11 CA ARG 158 -13.306 21.429 46.215 1.00 67.87 C ATOM 12 CB ARG 158 -13.918 22.184 45.023 1.00 67.87 C ATOM 13 CG ARG 158 -13.830 21.386 43.719 1.00 67.87 C ATOM 14 CD ARG 158 -14.419 22.092 42.495 1.00 67.87 C ATOM 15 NE ARG 158 -14.427 21.091 41.390 1.00 67.87 N ATOM 16 CZ ARG 158 -14.387 21.483 40.083 1.00 67.87 C ATOM 17 NH1 ARG 158 -14.309 22.806 39.760 1.00 67.87 N ATOM 18 NH2 ARG 158 -14.423 20.542 39.093 1.00 67.87 N ATOM 19 C ARG 158 -13.509 22.251 47.448 1.00 67.87 C ATOM 20 O ARG 158 -14.587 22.779 47.709 1.00 67.87 O ATOM 21 N PRO 159 -12.462 22.330 48.217 1.00110.57 N ATOM 22 CA PRO 159 -12.493 23.070 49.452 1.00110.57 C ATOM 23 CD PRO 159 -11.575 21.179 48.304 1.00110.57 C ATOM 24 CB PRO 159 -11.325 22.547 50.284 1.00110.57 C ATOM 25 CG PRO 159 -11.116 21.116 49.765 1.00110.57 C ATOM 26 C PRO 159 -12.493 24.566 49.343 1.00110.57 C ATOM 27 O PRO 159 -12.841 25.215 50.329 1.00110.57 O ATOM 28 N TYR 160 -12.113 25.156 48.193 1.00 57.67 N ATOM 29 CA TYR 160 -12.008 26.590 48.188 1.00 57.67 C ATOM 30 CB TYR 160 -10.729 27.115 47.515 1.00 57.67 C ATOM 31 CG TYR 160 -9.566 26.690 48.341 1.00 57.67 C ATOM 32 CD1 TYR 160 -9.230 27.388 49.476 1.00 57.67 C ATOM 33 CD2 TYR 160 -8.810 25.598 47.979 1.00 57.67 C ATOM 34 CE1 TYR 160 -8.154 27.008 50.241 1.00 57.67 C ATOM 35 CE2 TYR 160 -7.732 25.213 48.743 1.00 57.67 C ATOM 36 CZ TYR 160 -7.403 25.918 49.875 1.00 57.67 C ATOM 37 OH TYR 160 -6.297 25.527 50.661 1.00 57.67 O ATOM 38 C TYR 160 -13.163 27.167 47.436 1.00 57.67 C ATOM 39 O TYR 160 -13.374 26.864 46.264 1.00 57.67 O ATOM 40 N THR 161 -13.937 28.047 48.105 1.00103.27 N ATOM 41 CA THR 161 -15.105 28.601 47.483 1.00103.27 C ATOM 42 CB THR 161 -16.345 28.428 48.311 1.00103.27 C ATOM 43 OG1 THR 161 -16.211 29.129 49.538 1.00103.27 O ATOM 44 CG2 THR 161 -16.560 26.929 48.583 1.00103.27 C ATOM 45 C THR 161 -14.917 30.075 47.278 1.00103.27 C ATOM 46 O THR 161 -14.356 30.774 48.120 1.00103.27 O ATOM 47 N CYS 162 -15.381 30.575 46.112 1.00 43.27 N ATOM 48 CA CYS 162 -15.296 31.976 45.803 1.00 43.27 C ATOM 49 CB CYS 162 -15.479 32.277 44.304 1.00 43.27 C ATOM 50 SG CYS 162 -15.366 34.048 43.916 1.00 43.27 S ATOM 51 C CYS 162 -16.384 32.674 46.559 1.00 43.27 C ATOM 52 O CYS 162 -17.534 32.241 46.573 1.00 43.27 O ATOM 53 N GLN 163 -16.044 33.797 47.219 1.00 47.41 N ATOM 54 CA GLN 163 -17.031 34.473 48.012 1.00 47.41 C ATOM 55 CB GLN 163 -16.462 35.662 48.806 1.00 47.41 C ATOM 56 CG GLN 163 -15.402 35.284 49.842 1.00 47.41 C ATOM 57 CD GLN 163 -14.960 36.571 50.530 1.00 47.41 C ATOM 58 OE1 GLN 163 -15.768 37.291 51.109 1.00 47.41 O ATOM 59 NE2 GLN 163 -13.634 36.868 50.460 1.00 47.41 N ATOM 60 C GLN 163 -18.115 35.026 47.138 1.00 47.41 C ATOM 61 O GLN 163 -19.293 34.946 47.489 1.00 47.41 O ATOM 62 N GLN 164 -17.757 35.652 46.001 1.00 74.60 N ATOM 63 CA GLN 164 -18.804 36.287 45.251 1.00 74.60 C ATOM 64 CB GLN 164 -18.279 37.321 44.241 1.00 74.60 C ATOM 65 CG GLN 164 -19.393 38.148 43.597 1.00 74.60 C ATOM 66 CD GLN 164 -18.744 39.324 42.884 1.00 74.60 C ATOM 67 OE1 GLN 164 -17.537 39.538 42.995 1.00 74.60 O ATOM 68 NE2 GLN 164 -19.562 40.115 42.140 1.00 74.60 N ATOM 69 C GLN 164 -19.708 35.332 44.520 1.00 74.60 C ATOM 70 O GLN 164 -20.927 35.388 44.686 1.00 74.60 O ATOM 71 N CYS 165 -19.130 34.456 43.670 1.00 61.81 N ATOM 72 CA CYS 165 -19.893 33.540 42.857 1.00 61.81 C ATOM 73 CB CYS 165 -19.106 33.036 41.632 1.00 61.81 C ATOM 74 SG CYS 165 -17.579 32.158 42.065 1.00 61.81 S ATOM 75 C CYS 165 -20.399 32.357 43.629 1.00 61.81 C ATOM 76 O CYS 165 -21.529 31.911 43.425 1.00 61.81 O ATOM 77 N GLY 166 -19.574 31.807 44.541 1.00 25.32 N ATOM 78 CA GLY 166 -19.974 30.645 45.283 1.00 25.32 C ATOM 79 C GLY 166 -19.437 29.417 44.605 1.00 25.32 C ATOM 80 O GLY 166 -19.698 28.300 45.049 1.00 25.32 O ATOM 81 N LYS 167 -18.671 29.585 43.506 1.00 86.88 N ATOM 82 CA LYS 167 -18.114 28.458 42.808 1.00 86.88 C ATOM 83 CB LYS 167 -17.558 28.816 41.421 1.00 86.88 C ATOM 84 CG LYS 167 -17.108 27.599 40.611 1.00 86.88 C ATOM 85 CD LYS 167 -16.841 27.922 39.141 1.00 86.88 C ATOM 86 CE LYS 167 -18.083 28.404 38.393 1.00 86.88 C ATOM 87 NZ LYS 167 -17.716 28.823 37.021 1.00 86.88 N ATOM 88 C LYS 167 -16.983 27.898 43.623 1.00 86.88 C ATOM 89 O LYS 167 -16.257 28.638 44.287 1.00 86.88 O ATOM 90 N SER 168 -16.795 26.559 43.579 1.00 51.46 N ATOM 91 CA SER 168 -15.777 25.940 44.384 1.00 51.46 C ATOM 92 CB SER 168 -16.301 24.785 45.255 1.00 51.46 C ATOM 93 OG SER 168 -17.222 25.274 46.219 1.00 51.46 O ATOM 94 C SER 168 -14.707 25.377 43.495 1.00 51.46 C ATOM 95 O SER 168 -14.965 24.999 42.353 1.00 51.46 O ATOM 96 N PHE 169 -13.461 25.313 44.017 1.00143.02 N ATOM 97 CA PHE 169 -12.346 24.851 43.237 1.00143.02 C ATOM 98 CB PHE 169 -11.381 25.989 42.859 1.00143.02 C ATOM 99 CG PHE 169 -12.115 26.927 41.961 1.00143.02 C ATOM 100 CD1 PHE 169 -12.852 27.967 42.484 1.00143.02 C ATOM 101 CD2 PHE 169 -12.074 26.763 40.597 1.00143.02 C ATOM 102 CE1 PHE 169 -13.535 28.833 41.660 1.00143.02 C ATOM 103 CE2 PHE 169 -12.754 27.627 39.769 1.00143.02 C ATOM 104 CZ PHE 169 -13.485 28.663 40.298 1.00143.02 C ATOM 105 C PHE 169 -11.546 23.861 44.033 1.00143.02 C ATOM 106 O PHE 169 -11.537 23.880 45.263 1.00143.02 O ATOM 107 N LYS 170 -10.868 22.941 43.317 1.00146.51 N ATOM 108 CA LYS 170 -10.028 21.943 43.914 1.00146.51 C ATOM 109 CB LYS 170 -9.537 20.877 42.920 1.00146.51 C ATOM 110 CG LYS 170 -8.670 19.811 43.594 1.00146.51 C ATOM 111 CD LYS 170 -9.428 19.004 44.651 1.00146.51 C ATOM 112 CE LYS 170 -9.422 17.492 44.420 1.00146.51 C ATOM 113 NZ LYS 170 -8.210 16.891 45.024 1.00146.51 N ATOM 114 C LYS 170 -8.811 22.585 44.505 1.00146.51 C ATOM 115 O LYS 170 -8.313 22.147 45.543 1.00146.51 O ATOM 116 N GLN 171 -8.275 23.636 43.853 1.00 38.12 N ATOM 117 CA GLN 171 -7.052 24.186 44.366 1.00 38.12 C ATOM 118 CB GLN 171 -5.843 23.921 43.456 1.00 38.12 C ATOM 119 CG GLN 171 -5.484 22.436 43.357 1.00 38.12 C ATOM 120 CD GLN 171 -4.284 22.293 42.433 1.00 38.12 C ATOM 121 OE1 GLN 171 -3.806 23.272 41.862 1.00 38.12 O ATOM 122 NE2 GLN 171 -3.787 21.037 42.273 1.00 38.12 N ATOM 123 C GLN 171 -7.173 25.664 44.549 1.00 38.12 C ATOM 124 O GLN 171 -7.930 26.348 43.861 1.00 38.12 O ATOM 125 N SER 172 -6.385 26.178 45.515 1.00 69.61 N ATOM 126 CA SER 172 -6.373 27.560 45.894 1.00 69.61 C ATOM 127 CB SER 172 -5.446 27.834 47.088 1.00 69.61 C ATOM 128 OG SER 172 -4.105 27.519 46.745 1.00 69.61 O ATOM 129 C SER 172 -5.892 28.401 44.756 1.00 69.61 C ATOM 130 O SER 172 -6.426 29.482 44.512 1.00 69.61 O ATOM 131 N GLY 173 -4.878 27.922 44.015 1.00 15.15 N ATOM 132 CA GLY 173 -4.318 28.710 42.956 1.00 15.15 C ATOM 133 C GLY 173 -5.374 28.969 41.931 1.00 15.15 C ATOM 134 O GLY 173 -5.448 30.060 41.370 1.00 15.15 O ATOM 135 N ASN 174 -6.208 27.952 41.649 1.00 32.98 N ATOM 136 CA ASN 174 -7.232 28.068 40.653 1.00 32.98 C ATOM 137 CB ASN 174 -7.997 26.749 40.450 1.00 32.98 C ATOM 138 CG ASN 174 -6.996 25.691 40.006 1.00 32.98 C ATOM 139 OD1 ASN 174 -5.914 26.010 39.518 1.00 32.98 O ATOM 140 ND2 ASN 174 -7.363 24.394 40.181 1.00 32.98 N ATOM 141 C ASN 174 -8.223 29.102 41.096 1.00 32.98 C ATOM 142 O ASN 174 -8.673 29.920 40.297 1.00 32.98 O ATOM 143 N LEU 175 -8.587 29.090 42.394 1.00102.32 N ATOM 144 CA LEU 175 -9.557 30.011 42.915 1.00102.32 C ATOM 145 CB LEU 175 -9.867 29.742 44.403 1.00102.32 C ATOM 146 CG LEU 175 -10.902 30.688 45.051 1.00102.32 C ATOM 147 CD1 LEU 175 -10.336 32.090 45.330 1.00102.32 C ATOM 148 CD2 LEU 175 -12.194 30.733 44.224 1.00102.32 C ATOM 149 C LEU 175 -9.019 31.400 42.790 1.00102.32 C ATOM 150 O LEU 175 -9.731 32.321 42.392 1.00102.32 O ATOM 151 N LYS 176 -7.725 31.584 43.106 1.00 65.10 N ATOM 152 CA LYS 176 -7.144 32.896 43.099 1.00 65.10 C ATOM 153 CB LYS 176 -5.656 32.888 43.495 1.00 65.10 C ATOM 154 CG LYS 176 -5.015 34.278 43.497 1.00 65.10 C ATOM 155 CD LYS 176 -3.653 34.328 44.193 1.00 65.10 C ATOM 156 CE LYS 176 -2.988 35.704 44.128 1.00 65.10 C ATOM 157 NZ LYS 176 -1.723 35.696 44.892 1.00 65.10 N ATOM 158 C LYS 176 -7.249 33.482 41.731 1.00 65.10 C ATOM 159 O LYS 176 -7.595 34.653 41.572 1.00 65.10 O ATOM 160 N ASP 177 -6.959 32.689 40.689 1.00 61.93 N ATOM 161 CA ASP 177 -7.031 33.252 39.375 1.00 61.93 C ATOM 162 CB ASP 177 -6.556 32.291 38.274 1.00 61.93 C ATOM 163 CG ASP 177 -6.330 33.101 37.002 1.00 61.93 C ATOM 164 OD1 ASP 177 -7.242 33.885 36.625 1.00 61.93 O ATOM 165 OD2 ASP 177 -5.244 32.945 36.385 1.00 61.93 O ATOM 166 C ASP 177 -8.457 33.610 39.100 1.00 61.93 C ATOM 167 O ASP 177 -8.749 34.653 38.515 1.00 61.93 O ATOM 168 N HIS 178 -9.391 32.752 39.550 1.00 40.60 N ATOM 169 CA HIS 178 -10.785 32.954 39.284 1.00 40.60 C ATOM 170 ND1 HIS 178 -13.606 31.655 38.194 1.00 40.60 N ATOM 171 CG HIS 178 -13.123 31.958 39.448 1.00 40.60 C ATOM 172 CB HIS 178 -11.678 31.831 39.848 1.00 40.60 C ATOM 173 NE2 HIS 178 -15.351 32.314 39.407 1.00 40.60 N ATOM 174 CD2 HIS 178 -14.200 32.359 40.175 1.00 40.60 C ATOM 175 CE1 HIS 178 -14.945 31.887 38.226 1.00 40.60 C ATOM 176 C HIS 178 -11.222 34.246 39.895 1.00 40.60 C ATOM 177 O HIS 178 -11.926 35.024 39.255 1.00 40.60 O ATOM 178 N ILE 179 -10.808 34.529 41.145 1.00 64.10 N ATOM 179 CA ILE 179 -11.246 35.760 41.738 1.00 64.10 C ATOM 180 CB ILE 179 -10.724 36.008 43.126 1.00 64.10 C ATOM 181 CG1 ILE 179 -11.497 37.158 43.787 1.00 64.10 C ATOM 182 CG2 ILE 179 -9.219 36.295 43.039 1.00 64.10 C ATOM 183 CD1 ILE 179 -11.214 37.291 45.283 1.00 64.10 C ATOM 184 C ILE 179 -10.761 36.915 40.875 1.00 64.10 C ATOM 185 O ILE 179 -11.203 38.063 41.137 1.00 64.10 O ATOM 186 OXT ILE 179 -9.941 36.670 39.948 1.00 64.10 O