EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:37 REMARK 6 MODELLER OBJECTIVE FUNCTION: 88.2895 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1400.29114 REMARK 6 GA341 score: 0.92892 REMARK 6 Normalized DOPE score: -0.10522 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 175 -8.234 47.724 57.199 1.00 78.71 N ATOM 2 CA GLU 175 -9.370 46.871 56.776 1.00 78.71 C ATOM 3 CB GLU 175 -9.493 46.803 55.248 1.00 78.71 C ATOM 4 CG GLU 175 -9.833 48.109 54.536 1.00 78.71 C ATOM 5 CD GLU 175 -10.378 47.702 53.173 1.00 78.71 C ATOM 6 OE1 GLU 175 -11.608 47.449 53.097 1.00 78.71 O ATOM 7 OE2 GLU 175 -9.579 47.619 52.200 1.00 78.71 O ATOM 8 C GLU 175 -9.196 45.446 57.196 1.00 78.71 C ATOM 9 O GLU 175 -8.088 45.000 57.492 1.00 78.71 O ATOM 10 N LYS 176 -10.317 44.696 57.246 1.00 63.84 N ATOM 11 CA LYS 176 -10.245 43.284 57.493 1.00 63.84 C ATOM 12 CB LYS 176 -11.140 42.785 58.646 1.00 63.84 C ATOM 13 CG LYS 176 -10.647 43.118 60.059 1.00 63.84 C ATOM 14 CD LYS 176 -11.729 42.896 61.123 1.00 63.84 C ATOM 15 CE LYS 176 -11.245 43.000 62.571 1.00 63.84 C ATOM 16 NZ LYS 176 -12.399 42.905 63.498 1.00 63.84 N ATOM 17 C LYS 176 -10.749 42.633 56.242 1.00 63.84 C ATOM 18 O LYS 176 -11.948 42.531 55.996 1.00 63.84 O ATOM 19 N PRO 177 -9.807 42.211 55.442 1.00113.91 N ATOM 20 CA PRO 177 -10.056 41.631 54.147 1.00113.91 C ATOM 21 CD PRO 177 -8.444 42.680 55.591 1.00113.91 C ATOM 22 CB PRO 177 -8.692 41.548 53.462 1.00113.91 C ATOM 23 CG PRO 177 -7.837 42.603 54.185 1.00113.91 C ATOM 24 C PRO 177 -10.743 40.302 54.148 1.00113.91 C ATOM 25 O PRO 177 -11.469 40.029 53.195 1.00113.91 O ATOM 26 N PHE 178 -10.549 39.460 55.180 1.00 57.12 N ATOM 27 CA PHE 178 -11.071 38.125 55.092 1.00 57.12 C ATOM 28 CB PHE 178 -10.082 37.070 55.621 1.00 57.12 C ATOM 29 CG PHE 178 -8.941 37.044 54.663 1.00 57.12 C ATOM 30 CD1 PHE 178 -8.993 36.241 53.546 1.00 57.12 C ATOM 31 CD2 PHE 178 -7.823 37.819 54.872 1.00 57.12 C ATOM 32 CE1 PHE 178 -7.955 36.206 52.650 1.00 57.12 C ATOM 33 CE2 PHE 178 -6.775 37.790 53.975 1.00 57.12 C ATOM 34 CZ PHE 178 -6.841 36.981 52.865 1.00 57.12 C ATOM 35 C PHE 178 -12.333 38.023 55.886 1.00 57.12 C ATOM 36 O PHE 178 -12.386 38.446 57.039 1.00 57.12 O ATOM 37 N ALA 179 -13.390 37.438 55.283 1.00 32.94 N ATOM 38 CA ALA 179 -14.635 37.341 55.985 1.00 32.94 C ATOM 39 CB ALA 179 -15.804 38.022 55.258 1.00 32.94 C ATOM 40 C ALA 179 -14.997 35.896 56.154 1.00 32.94 C ATOM 41 O ALA 179 -14.734 35.061 55.288 1.00 32.94 O ATOM 42 N CYS 180 -15.595 35.571 57.319 1.00 42.31 N ATOM 43 CA CYS 180 -16.034 34.235 57.605 1.00 42.31 C ATOM 44 CB CYS 180 -16.203 33.965 59.117 1.00 42.31 C ATOM 45 SG CYS 180 -16.767 32.278 59.510 1.00 42.31 S ATOM 46 C CYS 180 -17.358 34.028 56.935 1.00 42.31 C ATOM 47 O CYS 180 -18.259 34.859 57.040 1.00 42.31 O ATOM 48 N THR 181 -17.506 32.895 56.221 1.00 42.89 N ATOM 49 CA THR 181 -18.724 32.579 55.527 1.00 42.89 C ATOM 50 CB THR 181 -18.633 31.307 54.732 1.00 42.89 C ATOM 51 OG1 THR 181 -17.655 31.442 53.714 1.00 42.89 O ATOM 52 CG2 THR 181 -20.011 30.985 54.128 1.00 42.89 C ATOM 53 C THR 181 -19.834 32.381 56.505 1.00 42.89 C ATOM 54 O THR 181 -20.959 32.817 56.263 1.00 42.89 O ATOM 55 N GLN 182 -19.574 31.676 57.619 1.00 73.59 N ATOM 56 CA GLN 182 -20.700 31.417 58.469 1.00 73.59 C ATOM 57 CB GLN 182 -20.387 30.417 59.591 1.00 73.59 C ATOM 58 CG GLN 182 -21.632 30.021 60.388 1.00 73.59 C ATOM 59 CD GLN 182 -21.197 29.451 61.730 1.00 73.59 C ATOM 60 OE1 GLN 182 -20.008 29.304 62.010 1.00 73.59 O ATOM 61 NE2 GLN 182 -22.195 29.145 62.603 1.00 73.59 N ATOM 62 C GLN 182 -21.221 32.655 59.153 1.00 73.59 C ATOM 63 O GLN 182 -22.378 33.027 58.957 1.00 73.59 O ATOM 64 N CYS 183 -20.377 33.310 59.987 1.00 66.19 N ATOM 65 CA CYS 183 -20.740 34.471 60.774 1.00 66.19 C ATOM 66 CB CYS 183 -19.795 34.695 61.960 1.00 66.19 C ATOM 67 SG CYS 183 -18.064 34.801 61.427 1.00 66.19 S ATOM 68 C CYS 183 -20.771 35.749 59.988 1.00 66.19 C ATOM 69 O CYS 183 -21.644 36.590 60.195 1.00 66.19 O ATOM 70 N GLY 184 -19.804 35.948 59.075 1.00 28.31 N ATOM 71 CA GLY 184 -19.766 37.176 58.338 1.00 28.31 C ATOM 72 C GLY 184 -18.807 38.122 58.999 1.00 28.31 C ATOM 73 O GLY 184 -18.677 39.269 58.574 1.00 28.31 O ATOM 74 N LYS 185 -18.110 37.662 60.061 1.00 63.18 N ATOM 75 CA LYS 185 -17.165 38.495 60.759 1.00 63.18 C ATOM 76 CB LYS 185 -16.773 37.943 62.139 1.00 63.18 C ATOM 77 CG LYS 185 -16.178 39.036 63.021 1.00 63.18 C ATOM 78 CD LYS 185 -16.026 38.674 64.499 1.00 63.18 C ATOM 79 CE LYS 185 -15.498 39.852 65.324 1.00 63.18 C ATOM 80 NZ LYS 185 -14.908 39.381 66.594 1.00 63.18 N ATOM 81 C LYS 185 -15.917 38.604 59.933 1.00 63.18 C ATOM 82 O LYS 185 -15.539 37.661 59.239 1.00 63.18 O ATOM 83 N SER 186 -15.228 39.766 59.999 1.00 53.22 N ATOM 84 CA SER 186 -14.065 39.978 59.171 1.00 53.22 C ATOM 85 CB SER 186 -14.056 41.315 58.420 1.00 53.22 C ATOM 86 OG SER 186 -15.092 41.351 57.454 1.00 53.22 O ATOM 87 C SER 186 -12.829 40.013 60.010 1.00 53.22 C ATOM 88 O SER 186 -12.870 40.357 61.192 1.00 53.22 O ATOM 89 N PHE 187 -11.676 39.674 59.388 1.00 69.69 N ATOM 90 CA PHE 187 -10.437 39.617 60.114 1.00 69.69 C ATOM 91 CB PHE 187 -9.983 38.169 60.346 1.00 69.69 C ATOM 92 CG PHE 187 -11.069 37.508 61.134 1.00 69.69 C ATOM 93 CD1 PHE 187 -11.116 37.621 62.504 1.00 69.69 C ATOM 94 CD2 PHE 187 -12.056 36.785 60.505 1.00 69.69 C ATOM 95 CE1 PHE 187 -12.116 37.012 63.226 1.00 69.69 C ATOM 96 CE2 PHE 187 -13.059 36.173 61.226 1.00 69.69 C ATOM 97 CZ PHE 187 -13.097 36.288 62.592 1.00 69.69 C ATOM 98 C PHE 187 -9.366 40.304 59.319 1.00 69.69 C ATOM 99 O PHE 187 -9.429 40.381 58.094 1.00 69.69 O ATOM 100 N SER 188 -8.350 40.840 60.030 1.00 38.20 N ATOM 101 CA SER 188 -7.253 41.527 59.411 1.00 38.20 C ATOM 102 CB SER 188 -6.317 42.221 60.412 1.00 38.20 C ATOM 103 OG SER 188 -5.562 41.256 61.126 1.00 38.20 O ATOM 104 C SER 188 -6.421 40.544 58.652 1.00 38.20 C ATOM 105 O SER 188 -5.897 40.865 57.584 1.00 38.20 O ATOM 106 N CYS 189 -6.246 39.315 59.175 1.00 96.68 N ATOM 107 CA CYS 189 -5.418 38.440 58.406 1.00 96.68 C ATOM 108 CB CYS 189 -3.960 38.336 58.889 1.00 96.68 C ATOM 109 SG CYS 189 -3.791 37.646 60.547 1.00 96.68 S ATOM 110 C CYS 189 -6.028 37.082 58.295 1.00 96.68 C ATOM 111 O CYS 189 -6.922 36.684 59.044 1.00 96.68 O ATOM 112 N LEU 190 -5.516 36.343 57.303 1.00 88.22 N ATOM 113 CA LEU 190 -5.956 35.052 56.886 1.00 88.22 C ATOM 114 CB LEU 190 -5.119 34.616 55.669 1.00 88.22 C ATOM 115 CG LEU 190 -5.515 33.305 54.974 1.00 88.22 C ATOM 116 CD1 LEU 190 -6.930 33.391 54.381 1.00 88.22 C ATOM 117 CD2 LEU 190 -4.470 32.928 53.910 1.00 88.22 C ATOM 118 C LEU 190 -5.780 34.069 58.012 1.00 88.22 C ATOM 119 O LEU 190 -6.660 33.246 58.258 1.00 88.22 O ATOM 120 N SER 191 -4.653 34.147 58.745 1.00 64.59 N ATOM 121 CA SER 191 -4.364 33.165 59.758 1.00 64.59 C ATOM 122 CB SER 191 -3.037 33.420 60.492 1.00 64.59 C ATOM 123 OG SER 191 -2.812 32.387 61.440 1.00 64.59 O ATOM 124 C SER 191 -5.419 33.193 60.810 1.00 64.59 C ATOM 125 O SER 191 -5.864 32.146 61.278 1.00 64.59 O ATOM 126 N HIS 192 -5.833 34.405 61.217 1.00 43.70 N ATOM 127 CA HIS 192 -6.820 34.541 62.244 1.00 43.70 C ATOM 128 ND1 HIS 192 -4.751 36.861 63.231 1.00 43.70 N ATOM 129 CG HIS 192 -6.056 36.592 63.567 1.00 43.70 C ATOM 130 CB HIS 192 -7.081 36.006 62.638 1.00 43.70 C ATOM 131 NE2 HIS 192 -5.006 37.542 65.329 1.00 43.70 N ATOM 132 CD2 HIS 192 -6.195 37.008 64.857 1.00 43.70 C ATOM 133 CE1 HIS 192 -4.170 37.430 64.313 1.00 43.70 C ATOM 134 C HIS 192 -8.116 33.972 61.763 1.00 43.70 C ATOM 135 O HIS 192 -8.800 33.262 62.493 1.00 43.70 O ATOM 136 N LEU 193 -8.485 34.262 60.507 1.00104.46 N ATOM 137 CA LEU 193 -9.747 33.819 60.000 1.00104.46 C ATOM 138 CB LEU 193 -10.000 34.390 58.593 1.00104.46 C ATOM 139 CG LEU 193 -11.332 33.977 57.942 1.00104.46 C ATOM 140 CD1 LEU 193 -11.266 32.540 57.411 1.00104.46 C ATOM 141 CD2 LEU 193 -12.517 34.177 58.894 1.00104.46 C ATOM 142 C LEU 193 -9.798 32.322 59.971 1.00104.46 C ATOM 143 O LEU 193 -10.793 31.714 60.371 1.00104.46 O ATOM 144 N ASN 194 -8.710 31.673 59.534 1.00 64.10 N ATOM 145 CA ASN 194 -8.759 30.244 59.415 1.00 64.10 C ATOM 146 CB ASN 194 -7.510 29.687 58.708 1.00 64.10 C ATOM 147 CG ASN 194 -7.718 30.041 57.233 1.00 64.10 C ATOM 148 OD1 ASN 194 -6.773 30.227 56.468 1.00 64.10 O ATOM 149 ND2 ASN 194 -9.013 30.151 56.835 1.00 64.10 N ATOM 150 C ASN 194 -8.990 29.624 60.759 1.00 64.10 C ATOM 151 O ASN 194 -9.766 28.678 60.878 1.00 64.10 O ATOM 152 N HIS 195 -8.339 30.132 61.820 1.00 81.08 N ATOM 153 CA HIS 195 -8.557 29.557 63.117 1.00 81.08 C ATOM 154 ND1 HIS 195 -5.929 28.049 63.697 1.00 81.08 N ATOM 155 CG HIS 195 -6.169 29.407 63.732 1.00 81.08 C ATOM 156 CB HIS 195 -7.494 29.991 64.136 1.00 81.08 C ATOM 157 NE2 HIS 195 -4.060 29.042 63.017 1.00 81.08 N ATOM 158 CD2 HIS 195 -5.020 29.998 63.315 1.00 81.08 C ATOM 159 CE1 HIS 195 -4.654 27.891 63.263 1.00 81.08 C ATOM 160 C HIS 195 -9.950 29.849 63.608 1.00 81.08 C ATOM 161 O HIS 195 -10.610 28.973 64.165 1.00 81.08 O ATOM 162 N HIS 196 -10.457 31.078 63.390 1.00 46.69 N ATOM 163 CA HIS 196 -11.784 31.402 63.837 1.00 46.69 C ATOM 164 ND1 HIS 196 -14.102 33.180 65.175 1.00 46.69 N ATOM 165 CG HIS 196 -13.604 33.194 63.890 1.00 46.69 C ATOM 166 CB HIS 196 -12.191 32.850 63.514 1.00 46.69 C ATOM 167 NE2 HIS 196 -15.761 33.861 63.857 1.00 46.69 N ATOM 168 CD2 HIS 196 -14.632 33.610 63.098 1.00 46.69 C ATOM 169 CE1 HIS 196 -15.396 33.588 65.097 1.00 46.69 C ATOM 170 C HIS 196 -12.736 30.480 63.148 1.00 46.69 C ATOM 171 O HIS 196 -13.687 29.986 63.754 1.00 46.69 O ATOM 172 N LYS 197 -12.511 30.223 61.847 1.00134.15 N ATOM 173 CA LYS 197 -13.368 29.303 61.165 1.00134.15 C ATOM 174 CB LYS 197 -13.057 29.160 59.663 1.00134.15 C ATOM 175 CG LYS 197 -14.121 28.406 58.851 1.00134.15 C ATOM 176 CD LYS 197 -14.421 26.990 59.347 1.00134.15 C ATOM 177 CE LYS 197 -15.199 26.130 58.347 1.00134.15 C ATOM 178 NZ LYS 197 -16.514 26.733 58.035 1.00134.15 N ATOM 179 C LYS 197 -13.123 27.947 61.808 1.00134.15 C ATOM 180 O LYS 197 -13.826 27.632 62.803 1.00134.15 O ATOM 181 OXT LYS 197 -12.241 27.203 61.299 1.00134.15 O