EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:08 REMARK 6 MODELLER OBJECTIVE FUNCTION: 101.0679 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1745.99011 REMARK 6 GA341 score: 0.80255 REMARK 6 Normalized DOPE score: -0.71379 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 172 -9.394 30.937 38.176 1.00 80.43 N ATOM 2 CA GLU 172 -8.746 31.793 39.194 1.00 80.43 C ATOM 3 CB GLU 172 -9.773 32.727 39.855 1.00 80.43 C ATOM 4 CG GLU 172 -10.871 31.979 40.617 1.00 80.43 C ATOM 5 CD GLU 172 -12.067 31.803 39.693 1.00 80.43 C ATOM 6 OE1 GLU 172 -12.726 32.834 39.392 1.00 80.43 O ATOM 7 OE2 GLU 172 -12.342 30.646 39.278 1.00 80.43 O ATOM 8 C GLU 172 -8.138 30.952 40.267 1.00 80.43 C ATOM 9 O GLU 172 -7.689 29.835 40.016 1.00 80.43 O ATOM 10 N LYS 173 -8.085 31.490 41.501 1.00 90.99 N ATOM 11 CA LYS 173 -7.542 30.738 42.594 1.00 90.99 C ATOM 12 CB LYS 173 -6.364 31.434 43.304 1.00 90.99 C ATOM 13 CG LYS 173 -5.122 31.664 42.442 1.00 90.99 C ATOM 14 CD LYS 173 -5.307 32.701 41.333 1.00 90.99 C ATOM 15 CE LYS 173 -3.990 33.043 40.633 1.00 90.99 C ATOM 16 NZ LYS 173 -4.190 34.122 39.641 1.00 90.99 N ATOM 17 C LYS 173 -8.622 30.643 43.623 1.00 90.99 C ATOM 18 O LYS 173 -8.991 31.639 44.243 1.00 90.99 O ATOM 19 N PRO 174 -9.146 29.464 43.798 1.00113.71 N ATOM 20 CA PRO 174 -10.191 29.223 44.760 1.00113.71 C ATOM 21 CD PRO 174 -9.190 28.511 42.705 1.00113.71 C ATOM 22 CB PRO 174 -10.839 27.894 44.360 1.00113.71 C ATOM 23 CG PRO 174 -9.888 27.288 43.312 1.00113.71 C ATOM 24 C PRO 174 -9.773 29.257 46.199 1.00113.71 C ATOM 25 O PRO 174 -10.643 29.420 47.053 1.00113.71 O ATOM 26 N TYR 175 -8.475 29.103 46.519 1.00 57.41 N ATOM 27 CA TYR 175 -8.157 29.043 47.917 1.00 57.41 C ATOM 28 CB TYR 175 -7.325 27.813 48.307 1.00 57.41 C ATOM 29 CG TYR 175 -8.204 26.639 48.060 1.00 57.41 C ATOM 30 CD1 TYR 175 -9.185 26.304 48.965 1.00 57.41 C ATOM 31 CD2 TYR 175 -8.050 25.877 46.925 1.00 57.41 C ATOM 32 CE1 TYR 175 -10.005 25.223 48.743 1.00 57.41 C ATOM 33 CE2 TYR 175 -8.866 24.795 46.698 1.00 57.41 C ATOM 34 CZ TYR 175 -9.846 24.469 47.605 1.00 57.41 C ATOM 35 OH TYR 175 -10.682 23.358 47.366 1.00 57.41 O ATOM 36 C TYR 175 -7.389 30.258 48.312 1.00 57.41 C ATOM 37 O TYR 175 -6.347 30.567 47.735 1.00 57.41 O ATOM 38 N ALA 176 -7.898 30.968 49.341 1.00 35.32 N ATOM 39 CA ALA 176 -7.287 32.186 49.788 1.00 35.32 C ATOM 40 CB ALA 176 -8.271 33.366 49.835 1.00 35.32 C ATOM 41 C ALA 176 -6.754 31.998 51.176 1.00 35.32 C ATOM 42 O ALA 176 -7.377 31.349 52.016 1.00 35.32 O ATOM 43 N CYS 177 -5.555 32.563 51.432 1.00 44.84 N ATOM 44 CA CYS 177 -4.928 32.498 52.722 1.00 44.84 C ATOM 45 CB CYS 177 -3.437 32.876 52.708 1.00 44.84 C ATOM 46 SG CYS 177 -2.692 32.787 54.363 1.00 44.84 S ATOM 47 C CYS 177 -5.619 33.472 53.612 1.00 44.84 C ATOM 48 O CYS 177 -5.870 34.614 53.231 1.00 44.84 O ATOM 49 N THR 178 -5.932 33.047 54.847 1.00113.39 N ATOM 50 CA THR 178 -6.655 33.914 55.722 1.00113.39 C ATOM 51 CB THR 178 -7.060 33.253 57.014 1.00113.39 C ATOM 52 OG1 THR 178 -7.929 34.107 57.743 1.00113.39 O ATOM 53 CG2 THR 178 -5.817 32.929 57.860 1.00113.39 C ATOM 54 C THR 178 -5.859 35.138 56.051 1.00113.39 C ATOM 55 O THR 178 -6.396 36.244 56.014 1.00113.39 O ATOM 56 N GLN 179 -4.569 35.002 56.415 1.00126.85 N ATOM 57 CA GLN 179 -3.961 36.226 56.844 1.00126.85 C ATOM 58 CB GLN 179 -2.702 36.054 57.708 1.00126.85 C ATOM 59 CG GLN 179 -1.481 35.476 56.999 1.00126.85 C ATOM 60 CD GLN 179 -0.313 35.698 57.946 1.00126.85 C ATOM 61 OE1 GLN 179 -0.442 36.401 58.947 1.00126.85 O ATOM 62 NE2 GLN 179 0.857 35.082 57.627 1.00126.85 N ATOM 63 C GLN 179 -3.627 37.182 55.735 1.00126.85 C ATOM 64 O GLN 179 -4.054 38.336 55.767 1.00126.85 O ATOM 65 N CYS 180 -2.846 36.724 54.731 1.00 54.31 N ATOM 66 CA CYS 180 -2.363 37.584 53.680 1.00 54.31 C ATOM 67 CB CYS 180 -1.176 36.986 52.913 1.00 54.31 C ATOM 68 SG CYS 180 -1.611 35.439 52.075 1.00 54.31 S ATOM 69 C CYS 180 -3.435 37.929 52.696 1.00 54.31 C ATOM 70 O CYS 180 -3.522 39.065 52.233 1.00 54.31 O ATOM 71 N GLY 181 -4.290 36.951 52.345 1.00 26.95 N ATOM 72 CA GLY 181 -5.320 37.219 51.385 1.00 26.95 C ATOM 73 C GLY 181 -4.879 36.744 50.033 1.00 26.95 C ATOM 74 O GLY 181 -5.609 36.899 49.056 1.00 26.95 O ATOM 75 N LYS 182 -3.671 36.152 49.935 1.00 77.21 N ATOM 76 CA LYS 182 -3.188 35.662 48.673 1.00 77.21 C ATOM 77 CB LYS 182 -1.703 35.264 48.695 1.00 77.21 C ATOM 78 CG LYS 182 -1.194 34.745 47.349 1.00 77.21 C ATOM 79 CD LYS 182 0.330 34.645 47.267 1.00 77.21 C ATOM 80 CE LYS 182 1.012 35.969 46.922 1.00 77.21 C ATOM 81 NZ LYS 182 2.478 35.778 46.834 1.00 77.21 N ATOM 82 C LYS 182 -3.970 34.437 48.307 1.00 77.21 C ATOM 83 O LYS 182 -4.289 33.617 49.168 1.00 77.21 O ATOM 84 N SER 183 -4.287 34.271 47.003 1.00 58.22 N ATOM 85 CA SER 183 -5.073 33.137 46.596 1.00 58.22 C ATOM 86 CB SER 183 -6.333 33.493 45.781 1.00 58.22 C ATOM 87 OG SER 183 -7.289 34.142 46.606 1.00 58.22 O ATOM 88 C SER 183 -4.235 32.215 45.765 1.00 58.22 C ATOM 89 O SER 183 -3.270 32.630 45.123 1.00 58.22 O ATOM 90 N PHE 184 -4.590 30.911 45.778 1.00140.45 N ATOM 91 CA PHE 184 -3.821 29.927 45.070 1.00140.45 C ATOM 92 CB PHE 184 -3.004 29.019 46.006 1.00140.45 C ATOM 93 CG PHE 184 -1.961 29.857 46.662 1.00140.45 C ATOM 94 CD1 PHE 184 -2.243 30.521 47.834 1.00140.45 C ATOM 95 CD2 PHE 184 -0.707 29.990 46.109 1.00140.45 C ATOM 96 CE1 PHE 184 -1.291 31.299 48.449 1.00140.45 C ATOM 97 CE2 PHE 184 0.250 30.766 46.721 1.00140.45 C ATOM 98 CZ PHE 184 -0.039 31.421 47.894 1.00140.45 C ATOM 99 C PHE 184 -4.740 29.038 44.291 1.00140.45 C ATOM 100 O PHE 184 -5.909 28.857 44.627 1.00140.45 O ATOM 101 N LYS 185 -4.210 28.491 43.182 1.00 82.24 N ATOM 102 CA LYS 185 -4.903 27.584 42.318 1.00 82.24 C ATOM 103 CB LYS 185 -4.140 27.335 41.009 1.00 82.24 C ATOM 104 CG LYS 185 -2.713 26.833 41.227 1.00 82.24 C ATOM 105 CD LYS 185 -2.049 26.298 39.958 1.00 82.24 C ATOM 106 CE LYS 185 -0.562 25.992 40.135 1.00 82.24 C ATOM 107 NZ LYS 185 -0.038 25.335 38.918 1.00 82.24 N ATOM 108 C LYS 185 -5.093 26.265 43.007 1.00 82.24 C ATOM 109 O LYS 185 -6.092 25.584 42.781 1.00 82.24 O ATOM 110 N GLN 186 -4.129 25.857 43.858 1.00 47.19 N ATOM 111 CA GLN 186 -4.225 24.543 44.432 1.00 47.19 C ATOM 112 CB GLN 186 -3.038 23.648 44.048 1.00 47.19 C ATOM 113 CG GLN 186 -2.876 23.457 42.540 1.00 47.19 C ATOM 114 CD GLN 186 -1.525 22.798 42.309 1.00 47.19 C ATOM 115 OE1 GLN 186 -1.237 21.732 42.852 1.00 47.19 O ATOM 116 NE2 GLN 186 -0.659 23.458 41.494 1.00 47.19 N ATOM 117 C GLN 186 -4.216 24.627 45.926 1.00 47.19 C ATOM 118 O GLN 186 -3.571 25.492 46.517 1.00 47.19 O ATOM 119 N SER 187 -4.948 23.693 46.568 1.00 35.04 N ATOM 120 CA SER 187 -5.050 23.613 47.998 1.00 35.04 C ATOM 121 CB SER 187 -6.034 22.535 48.477 1.00 35.04 C ATOM 122 OG SER 187 -7.347 22.855 48.048 1.00 35.04 O ATOM 123 C SER 187 -3.718 23.269 48.591 1.00 35.04 C ATOM 124 O SER 187 -3.348 23.827 49.623 1.00 35.04 O ATOM 125 N PRO 188 -2.980 22.365 48.000 1.00118.87 N ATOM 126 CA PRO 188 -1.708 22.018 48.567 1.00118.87 C ATOM 127 CD PRO 188 -3.569 21.242 47.284 1.00118.87 C ATOM 128 CB PRO 188 -1.234 20.787 47.800 1.00118.87 C ATOM 129 CG PRO 188 -2.550 20.096 47.396 1.00118.87 C ATOM 130 C PRO 188 -0.751 23.162 48.553 1.00118.87 C ATOM 131 O PRO 188 0.111 23.221 49.429 1.00118.87 O ATOM 132 N SER 189 -0.864 24.066 47.564 1.00 30.26 N ATOM 133 CA SER 189 0.023 25.190 47.498 1.00 30.26 C ATOM 134 CB SER 189 -0.165 26.025 46.221 1.00 30.26 C ATOM 135 OG SER 189 0.104 25.235 45.072 1.00 30.26 O ATOM 136 C SER 189 -0.294 26.085 48.653 1.00 30.26 C ATOM 137 O SER 189 0.599 26.631 49.298 1.00 30.26 O ATOM 138 N PHE 190 -1.602 26.231 48.937 1.00105.59 N ATOM 139 CA PHE 190 -2.126 27.055 49.989 1.00105.59 C ATOM 140 CB PHE 190 -3.670 26.980 50.008 1.00105.59 C ATOM 141 CG PHE 190 -4.238 27.565 51.260 1.00105.59 C ATOM 142 CD1 PHE 190 -4.395 26.779 52.380 1.00105.59 C ATOM 143 CD2 PHE 190 -4.631 28.883 51.321 1.00105.59 C ATOM 144 CE1 PHE 190 -4.923 27.297 53.541 1.00105.59 C ATOM 145 CE2 PHE 190 -5.160 29.408 52.479 1.00105.59 C ATOM 146 CZ PHE 190 -5.303 28.616 53.593 1.00105.59 C ATOM 147 C PHE 190 -1.597 26.552 51.294 1.00105.59 C ATOM 148 O PHE 190 -1.119 27.327 52.122 1.00105.59 O ATOM 149 N TYR 191 -1.630 25.224 51.493 1.00129.05 N ATOM 150 CA TYR 191 -1.238 24.661 52.751 1.00129.05 C ATOM 151 CB TYR 191 -1.411 23.133 52.798 1.00129.05 C ATOM 152 CG TYR 191 -1.227 22.713 54.215 1.00129.05 C ATOM 153 CD1 TYR 191 -2.303 22.699 55.074 1.00129.05 C ATOM 154 CD2 TYR 191 0.011 22.348 54.691 1.00129.05 C ATOM 155 CE1 TYR 191 -2.150 22.314 56.384 1.00129.05 C ATOM 156 CE2 TYR 191 0.170 21.962 56.002 1.00129.05 C ATOM 157 CZ TYR 191 -0.912 21.944 56.850 1.00129.05 C ATOM 158 OH TYR 191 -0.753 21.546 58.194 1.00129.05 O ATOM 159 C TYR 191 0.209 24.964 53.011 1.00129.05 C ATOM 160 O TYR 191 0.581 25.324 54.128 1.00129.05 O ATOM 161 N ARG 192 1.071 24.819 51.987 1.00 34.33 N ATOM 162 CA ARG 192 2.478 25.060 52.164 1.00 34.33 C ATOM 163 CB ARG 192 3.309 24.726 50.910 1.00 34.33 C ATOM 164 CG ARG 192 3.291 23.235 50.552 1.00 34.33 C ATOM 165 CD ARG 192 4.108 22.877 49.304 1.00 34.33 C ATOM 166 NE ARG 192 4.010 21.403 49.094 1.00 34.33 N ATOM 167 CZ ARG 192 5.136 20.628 49.068 1.00 34.33 C ATOM 168 NH1 ARG 192 6.368 21.194 49.233 1.00 34.33 N ATOM 169 NH2 ARG 192 5.023 19.281 48.874 1.00 34.33 N ATOM 170 C ARG 192 2.681 26.509 52.482 1.00 34.33 C ATOM 171 O ARG 192 3.518 26.865 53.311 1.00 34.33 O ATOM 172 N HIS 193 1.898 27.380 51.822 1.00 48.04 N ATOM 173 CA HIS 193 1.985 28.800 51.995 1.00 48.04 C ATOM 174 ND1 HIS 193 2.048 31.780 50.564 1.00 48.04 N ATOM 175 CG HIS 193 1.094 31.028 51.210 1.00 48.04 C ATOM 176 CB HIS 193 0.990 29.542 51.088 1.00 48.04 C ATOM 177 NE2 HIS 193 0.801 33.201 51.733 1.00 48.04 N ATOM 178 CD2 HIS 193 0.340 31.910 51.921 1.00 48.04 C ATOM 179 CE1 HIS 193 1.826 33.072 50.912 1.00 48.04 C ATOM 180 C HIS 193 1.643 29.112 53.416 1.00 48.04 C ATOM 181 O HIS 193 2.244 29.981 54.045 1.00 48.04 O ATOM 182 N MET 194 0.677 28.369 53.971 1.00108.64 N ATOM 183 CA MET 194 0.226 28.589 55.309 1.00108.64 C ATOM 184 CB MET 194 -0.754 27.478 55.713 1.00108.64 C ATOM 185 CG MET 194 -1.645 27.749 56.920 1.00108.64 C ATOM 186 SD MET 194 -2.637 26.293 57.367 1.00108.64 S ATOM 187 CE MET 194 -3.106 25.909 55.654 1.00108.64 C ATOM 188 C MET 194 1.425 28.444 56.193 1.00108.64 C ATOM 189 O MET 194 1.652 29.254 57.090 1.00108.64 O ATOM 190 N GLN 195 2.250 27.415 55.925 1.00 33.27 N ATOM 191 CA GLN 195 3.379 27.134 56.759 1.00 33.27 C ATOM 192 CB GLN 195 4.121 25.846 56.352 1.00 33.27 C ATOM 193 CG GLN 195 3.285 24.583 56.590 1.00 33.27 C ATOM 194 CD GLN 195 4.142 23.355 56.309 1.00 33.27 C ATOM 195 OE1 GLN 195 4.748 23.222 55.246 1.00 33.27 O ATOM 196 NE2 GLN 195 4.194 22.425 57.299 1.00 33.27 N ATOM 197 C GLN 195 4.347 28.278 56.742 1.00 33.27 C ATOM 198 O GLN 195 4.848 28.667 57.796 1.00 33.27 O ATOM 199 N ILE 196 4.632 28.867 55.562 1.00 67.34 N ATOM 200 CA ILE 196 5.566 29.959 55.537 1.00 67.34 C ATOM 201 CB ILE 196 5.970 30.410 54.154 1.00 67.34 C ATOM 202 CG1 ILE 196 7.101 31.449 54.249 1.00 67.34 C ATOM 203 CG2 ILE 196 4.735 30.919 53.397 1.00 67.34 C ATOM 204 CD1 ILE 196 7.728 31.804 52.901 1.00 67.34 C ATOM 205 C ILE 196 4.939 31.144 56.262 1.00 67.34 C ATOM 206 O ILE 196 5.597 31.659 57.206 1.00 67.34 O ATOM 207 OXT ILE 196 3.802 31.548 55.897 1.00 67.34 O