EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:58:27 REMARK 6 MODELLER OBJECTIVE FUNCTION: 93.9342 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1149.41211 REMARK 6 GA341 score: 0.94828 REMARK 6 Normalized DOPE score: -1.41859 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 47.6% ATOM 1 N ASP 182 -27.140 20.795 45.259 1.00 76.28 N ATOM 2 CA ASP 182 -27.272 22.135 45.885 1.00 76.28 C ATOM 3 CB ASP 182 -28.588 22.240 46.680 1.00 76.28 C ATOM 4 CG ASP 182 -28.517 21.273 47.853 1.00 76.28 C ATOM 5 OD1 ASP 182 -28.253 20.067 47.608 1.00 76.28 O ATOM 6 OD2 ASP 182 -28.713 21.723 49.013 1.00 76.28 O ATOM 7 C ASP 182 -26.137 22.350 46.831 1.00 76.28 C ATOM 8 O ASP 182 -25.074 21.752 46.679 1.00 76.28 O ATOM 9 N ARG 183 -26.325 23.233 47.830 1.00 68.98 N ATOM 10 CA ARG 183 -25.274 23.430 48.782 1.00 68.98 C ATOM 11 CB ARG 183 -24.852 24.902 48.894 1.00 68.98 C ATOM 12 CG ARG 183 -24.389 25.424 47.534 1.00 68.98 C ATOM 13 CD ARG 183 -23.759 26.816 47.532 1.00 68.98 C ATOM 14 NE ARG 183 -23.494 27.144 46.103 1.00 68.98 N ATOM 15 CZ ARG 183 -22.289 27.655 45.710 1.00 68.98 C ATOM 16 NH1 ARG 183 -21.295 27.865 46.620 1.00 68.98 N ATOM 17 NH2 ARG 183 -22.105 28.008 44.403 1.00 68.98 N ATOM 18 C ARG 183 -25.822 22.970 50.088 1.00 68.98 C ATOM 19 O ARG 183 -26.693 23.601 50.680 1.00 68.98 O ATOM 20 N PRO 184 -25.316 21.858 50.530 1.00116.27 N ATOM 21 CA PRO 184 -25.786 21.221 51.729 1.00116.27 C ATOM 22 CD PRO 184 -24.703 20.908 49.620 1.00116.27 C ATOM 23 CB PRO 184 -25.252 19.785 51.687 1.00116.27 C ATOM 24 CG PRO 184 -24.224 19.776 50.542 1.00116.27 C ATOM 25 C PRO 184 -25.498 21.904 53.025 1.00116.27 C ATOM 26 O PRO 184 -26.182 21.602 53.999 1.00116.27 O ATOM 27 N TYR 185 -24.499 22.802 53.093 1.00 80.52 N ATOM 28 CA TYR 185 -24.212 23.330 54.394 1.00 80.52 C ATOM 29 CB TYR 185 -22.740 23.165 54.811 1.00 80.52 C ATOM 30 CG TYR 185 -22.594 21.741 55.204 1.00 80.52 C ATOM 31 CD1 TYR 185 -22.990 21.347 56.461 1.00 80.52 C ATOM 32 CD2 TYR 185 -22.083 20.805 54.337 1.00 80.52 C ATOM 33 CE1 TYR 185 -22.873 20.037 56.858 1.00 80.52 C ATOM 34 CE2 TYR 185 -21.963 19.493 54.731 1.00 80.52 C ATOM 35 CZ TYR 185 -22.359 19.103 55.990 1.00 80.52 C ATOM 36 OH TYR 185 -22.235 17.752 56.381 1.00 80.52 O ATOM 37 C TYR 185 -24.558 24.779 54.498 1.00 80.52 C ATOM 38 O TYR 185 -23.864 25.649 53.976 1.00 80.52 O ATOM 39 N PRO 186 -25.673 25.017 55.152 1.00162.02 N ATOM 40 CA PRO 186 -26.060 26.372 55.442 1.00162.02 C ATOM 41 CD PRO 186 -26.838 24.207 54.830 1.00162.02 C ATOM 42 CB PRO 186 -27.583 26.385 55.538 1.00162.02 C ATOM 43 CG PRO 186 -28.016 25.181 54.693 1.00162.02 C ATOM 44 C PRO 186 -25.424 26.884 56.693 1.00162.02 C ATOM 45 O PRO 186 -25.132 26.098 57.592 1.00162.02 O ATOM 46 N CYS 187 -25.219 28.209 56.780 1.00 41.75 N ATOM 47 CA CYS 187 -24.680 28.760 57.985 1.00 41.75 C ATOM 48 CB CYS 187 -23.762 29.974 57.764 1.00 41.75 C ATOM 49 SG CYS 187 -23.122 30.640 59.328 1.00 41.75 S ATOM 50 C CYS 187 -25.859 29.215 58.777 1.00 41.75 C ATOM 51 O CYS 187 -26.807 29.781 58.236 1.00 41.75 O ATOM 52 N SER 188 -25.836 28.955 60.094 1.00 43.81 N ATOM 53 CA SER 188 -26.951 29.281 60.927 1.00 43.81 C ATOM 54 CB SER 188 -26.742 28.830 62.381 1.00 43.81 C ATOM 55 OG SER 188 -25.631 29.514 62.942 1.00 43.81 O ATOM 56 C SER 188 -27.175 30.761 60.948 1.00 43.81 C ATOM 57 O SER 188 -28.302 31.221 60.753 1.00 43.81 O ATOM 58 N GLU 189 -26.121 31.553 61.223 1.00 99.68 N ATOM 59 CA GLU 189 -26.358 32.960 61.380 1.00 99.68 C ATOM 60 CB GLU 189 -25.205 33.691 62.095 1.00 99.68 C ATOM 61 CG GLU 189 -23.833 33.582 61.426 1.00 99.68 C ATOM 62 CD GLU 189 -22.848 34.315 62.325 1.00 99.68 C ATOM 63 OE1 GLU 189 -23.240 35.379 62.872 1.00 99.68 O ATOM 64 OE2 GLU 189 -21.699 33.817 62.481 1.00 99.68 O ATOM 65 C GLU 189 -26.674 33.672 60.096 1.00 99.68 C ATOM 66 O GLU 189 -27.710 34.330 60.003 1.00 99.68 O ATOM 67 N CYS 190 -25.787 33.566 59.082 1.00 63.28 N ATOM 68 CA CYS 190 -25.933 34.261 57.827 1.00 63.28 C ATOM 69 CB CYS 190 -24.612 34.405 57.050 1.00 63.28 C ATOM 70 SG CYS 190 -23.831 32.826 56.620 1.00 63.28 S ATOM 71 C CYS 190 -26.969 33.630 56.940 1.00 63.28 C ATOM 72 O CYS 190 -27.630 34.325 56.170 1.00 63.28 O ATOM 73 N GLU 191 -27.139 32.294 57.045 1.00 93.80 N ATOM 74 CA GLU 191 -28.017 31.493 56.228 1.00 93.80 C ATOM 75 CB GLU 191 -29.462 32.019 56.127 1.00 93.80 C ATOM 76 CG GLU 191 -30.264 31.920 57.429 1.00 93.80 C ATOM 77 CD GLU 191 -30.189 33.258 58.146 1.00 93.80 C ATOM 78 OE1 GLU 191 -30.080 34.299 57.444 1.00 93.80 O ATOM 79 OE2 GLU 191 -30.255 33.260 59.404 1.00 93.80 O ATOM 80 C GLU 191 -27.470 31.373 54.832 1.00 93.80 C ATOM 81 O GLU 191 -28.195 31.051 53.892 1.00 93.80 O ATOM 82 N LYS 192 -26.152 31.595 54.654 1.00 55.23 N ATOM 83 CA LYS 192 -25.563 31.412 53.357 1.00 55.23 C ATOM 84 CB LYS 192 -24.243 32.185 53.188 1.00 55.23 C ATOM 85 CG LYS 192 -23.699 32.239 51.758 1.00 55.23 C ATOM 86 CD LYS 192 -22.574 33.264 51.582 1.00 55.23 C ATOM 87 CE LYS 192 -21.884 33.209 50.216 1.00 55.23 C ATOM 88 NZ LYS 192 -20.728 34.134 50.201 1.00 55.23 N ATOM 89 C LYS 192 -25.280 29.943 53.229 1.00 55.23 C ATOM 90 O LYS 192 -24.960 29.285 54.217 1.00 55.23 O ATOM 91 N SER 193 -25.381 29.383 52.002 1.00 46.06 N ATOM 92 CA SER 193 -25.177 27.968 51.864 1.00 46.06 C ATOM 93 CB SER 193 -26.348 27.248 51.171 1.00 46.06 C ATOM 94 OG SER 193 -27.501 27.292 52.003 1.00 46.06 O ATOM 95 C SER 193 -23.941 27.736 51.064 1.00 46.06 C ATOM 96 O SER 193 -23.582 28.540 50.207 1.00 46.06 O ATOM 97 N PHE 194 -23.245 26.614 51.347 1.00 61.69 N ATOM 98 CA PHE 194 -22.022 26.363 50.647 1.00 61.69 C ATOM 99 CB PHE 194 -20.780 26.603 51.513 1.00 61.69 C ATOM 100 CG PHE 194 -20.705 28.072 51.759 1.00 61.69 C ATOM 101 CD1 PHE 194 -20.111 28.902 50.836 1.00 61.69 C ATOM 102 CD2 PHE 194 -21.236 28.623 52.904 1.00 61.69 C ATOM 103 CE1 PHE 194 -20.028 30.258 51.043 1.00 61.69 C ATOM 104 CE2 PHE 194 -21.158 29.980 53.120 1.00 61.69 C ATOM 105 CZ PHE 194 -20.556 30.796 52.191 1.00 61.69 C ATOM 106 C PHE 194 -21.996 24.950 50.167 1.00 61.69 C ATOM 107 O PHE 194 -22.624 24.059 50.739 1.00 61.69 O ATOM 108 N THR 195 -21.263 24.737 49.057 1.00104.30 N ATOM 109 CA THR 195 -21.115 23.456 48.436 1.00104.30 C ATOM 110 CB THR 195 -20.414 23.513 47.111 1.00104.30 C ATOM 111 OG1 THR 195 -20.441 22.232 46.495 1.00104.30 O ATOM 112 CG2 THR 195 -18.963 23.975 47.339 1.00104.30 C ATOM 113 C THR 195 -20.312 22.560 49.323 1.00104.30 C ATOM 114 O THR 195 -20.536 21.352 49.349 1.00104.30 O ATOM 115 N GLN 196 -19.342 23.123 50.071 1.00 55.34 N ATOM 116 CA GLN 196 -18.466 22.260 50.808 1.00 55.34 C ATOM 117 CB GLN 196 -17.038 22.336 50.239 1.00 55.34 C ATOM 118 CG GLN 196 -17.006 21.797 48.800 1.00 55.34 C ATOM 119 CD GLN 196 -15.741 22.240 48.078 1.00 55.34 C ATOM 120 OE1 GLN 196 -14.749 22.626 48.694 1.00 55.34 O ATOM 121 NE2 GLN 196 -15.786 22.187 46.719 1.00 55.34 N ATOM 122 C GLN 196 -18.470 22.614 52.268 1.00 55.34 C ATOM 123 O GLN 196 -18.581 23.775 52.655 1.00 55.34 O ATOM 124 N LYS 197 -18.363 21.567 53.113 1.00 68.33 N ATOM 125 CA LYS 197 -18.383 21.676 54.545 1.00 68.33 C ATOM 126 CB LYS 197 -18.337 20.293 55.222 1.00 68.33 C ATOM 127 CG LYS 197 -18.391 20.319 56.752 1.00 68.33 C ATOM 128 CD LYS 197 -18.676 18.934 57.342 1.00 68.33 C ATOM 129 CE LYS 197 -18.692 18.869 58.869 1.00 68.33 C ATOM 130 NZ LYS 197 -19.514 19.969 59.407 1.00 68.33 N ATOM 131 C LYS 197 -17.187 22.443 55.012 1.00 68.33 C ATOM 132 O LYS 197 -17.295 23.321 55.868 1.00 68.33 O ATOM 133 N SER 198 -16.008 22.155 54.439 1.00 62.72 N ATOM 134 CA SER 198 -14.819 22.787 54.921 1.00 62.72 C ATOM 135 CB SER 198 -13.560 22.312 54.176 1.00 62.72 C ATOM 136 OG SER 198 -12.406 22.947 54.706 1.00 62.72 O ATOM 137 C SER 198 -14.947 24.266 54.736 1.00 62.72 C ATOM 138 O SER 198 -14.593 25.043 55.622 1.00 62.72 O ATOM 139 N HIS 199 -15.489 24.693 53.582 1.00 99.23 N ATOM 140 CA HIS 199 -15.593 26.088 53.273 1.00 99.23 C ATOM 141 ND1 HIS 199 -17.098 28.686 51.803 1.00 99.23 N ATOM 142 CG HIS 199 -16.101 27.785 51.513 1.00 99.23 C ATOM 143 CB HIS 199 -16.163 26.336 51.873 1.00 99.23 C ATOM 144 NE2 HIS 199 -15.480 29.827 50.790 1.00 99.23 N ATOM 145 CD2 HIS 199 -15.119 28.496 50.895 1.00 99.23 C ATOM 146 CE1 HIS 199 -16.675 29.893 51.349 1.00 99.23 C ATOM 147 C HIS 199 -16.484 26.780 54.259 1.00 99.23 C ATOM 148 O HIS 199 -16.173 27.868 54.741 1.00 99.23 O ATOM 149 N LEU 200 -17.638 26.177 54.589 1.00104.09 N ATOM 150 CA LEU 200 -18.535 26.850 55.485 1.00104.09 C ATOM 151 CB LEU 200 -19.917 26.176 55.596 1.00104.09 C ATOM 152 CG LEU 200 -20.910 26.908 56.530 1.00104.09 C ATOM 153 CD1 LEU 200 -20.599 26.668 58.016 1.00104.09 C ATOM 154 CD2 LEU 200 -20.976 28.410 56.200 1.00104.09 C ATOM 155 C LEU 200 -17.915 26.948 56.846 1.00104.09 C ATOM 156 O LEU 200 -18.076 27.952 57.539 1.00104.09 O ATOM 157 N LYS 201 -17.163 25.910 57.256 1.00 71.12 N ATOM 158 CA LYS 201 -16.622 25.856 58.583 1.00 71.12 C ATOM 159 CB LYS 201 -15.710 24.634 58.779 1.00 71.12 C ATOM 160 CG LYS 201 -15.107 24.528 60.182 1.00 71.12 C ATOM 161 CD LYS 201 -14.402 23.192 60.441 1.00 71.12 C ATOM 162 CE LYS 201 -13.707 23.110 61.804 1.00 71.12 C ATOM 163 NZ LYS 201 -12.969 21.831 61.933 1.00 71.12 N ATOM 164 C LYS 201 -15.786 27.068 58.822 1.00 71.12 C ATOM 165 O LYS 201 -15.901 27.719 59.860 1.00 71.12 O ATOM 166 N GLU 202 -14.925 27.419 57.854 1.00 56.23 N ATOM 167 CA GLU 202 -14.087 28.549 58.107 1.00 56.23 C ATOM 168 CB GLU 202 -12.682 28.429 57.486 1.00 56.23 C ATOM 169 CG GLU 202 -11.701 29.505 57.972 1.00 56.23 C ATOM 170 CD GLU 202 -10.347 29.240 57.330 1.00 56.23 C ATOM 171 OE1 GLU 202 -10.342 28.677 56.205 1.00 56.23 O ATOM 172 OE2 GLU 202 -9.302 29.594 57.942 1.00 56.23 O ATOM 173 C GLU 202 -14.750 29.798 57.545 1.00 56.23 C ATOM 174 O GLU 202 -15.220 30.634 58.362 1.00 56.23 O ATOM 175 OXT GLU 202 -14.787 29.940 56.295 1.00 56.23 O