EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:01 REMARK 6 MODELLER OBJECTIVE FUNCTION: 120.9397 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.556 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1649.58569 REMARK 6 GA341 score: 0.99864 REMARK 6 Normalized DOPE score: -0.97353 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 55.6% ATOM 1 N GLU 258 2.753 32.474 39.668 1.00 61.37 N ATOM 2 CA GLU 258 1.572 32.022 40.437 1.00 61.37 C ATOM 3 CB GLU 258 1.852 30.665 41.098 1.00 61.37 C ATOM 4 CG GLU 258 2.080 29.547 40.081 1.00 61.37 C ATOM 5 CD GLU 258 2.346 28.261 40.851 1.00 61.37 C ATOM 6 OE1 GLU 258 1.391 27.762 41.501 1.00 61.37 O ATOM 7 OE2 GLU 258 3.503 27.766 40.805 1.00 61.37 O ATOM 8 C GLU 258 1.257 33.011 41.509 1.00 61.37 C ATOM 9 O GLU 258 1.986 33.983 41.693 1.00 61.37 O ATOM 10 N LYS 259 0.139 32.804 42.233 1.00116.12 N ATOM 11 CA LYS 259 -0.192 33.721 43.287 1.00116.12 C ATOM 12 CB LYS 259 -1.603 34.313 43.142 1.00116.12 C ATOM 13 CG LYS 259 -1.846 34.987 41.791 1.00116.12 C ATOM 14 CD LYS 259 -1.965 33.993 40.633 1.00116.12 C ATOM 15 CE LYS 259 -3.332 33.302 40.563 1.00116.12 C ATOM 16 NZ LYS 259 -3.402 32.421 39.374 1.00116.12 N ATOM 17 C LYS 259 -0.187 32.932 44.556 1.00116.12 C ATOM 18 O LYS 259 -1.208 32.382 44.964 1.00116.12 O ATOM 19 N PRO 260 0.954 32.869 45.183 1.00120.89 N ATOM 20 CA PRO 260 1.107 32.117 46.400 1.00120.89 C ATOM 21 CD PRO 260 2.203 32.962 44.450 1.00120.89 C ATOM 22 CB PRO 260 2.612 31.895 46.584 1.00120.89 C ATOM 23 CG PRO 260 3.277 32.804 45.537 1.00120.89 C ATOM 24 C PRO 260 0.436 32.661 47.618 1.00120.89 C ATOM 25 O PRO 260 0.145 31.866 48.510 1.00120.89 O ATOM 26 N PHE 261 0.171 33.979 47.695 1.00 61.08 N ATOM 27 CA PHE 261 -0.358 34.494 48.926 1.00 61.08 C ATOM 28 CB PHE 261 0.303 35.810 49.367 1.00 61.08 C ATOM 29 CG PHE 261 1.679 35.448 49.809 1.00 61.08 C ATOM 30 CD1 PHE 261 1.879 34.972 51.083 1.00 61.08 C ATOM 31 CD2 PHE 261 2.760 35.572 48.963 1.00 61.08 C ATOM 32 CE1 PHE 261 3.138 34.628 51.517 1.00 61.08 C ATOM 33 CE2 PHE 261 4.020 35.229 49.397 1.00 61.08 C ATOM 34 CZ PHE 261 4.214 34.756 50.674 1.00 61.08 C ATOM 35 C PHE 261 -1.830 34.713 48.807 1.00 61.08 C ATOM 36 O PHE 261 -2.295 35.481 47.966 1.00 61.08 O ATOM 37 N THR 262 -2.601 34.050 49.694 1.00106.96 N ATOM 38 CA THR 262 -4.031 34.157 49.646 1.00106.96 C ATOM 39 CB THR 262 -4.730 32.829 49.571 1.00106.96 C ATOM 40 OG1 THR 262 -4.438 32.060 50.729 1.00106.96 O ATOM 41 CG2 THR 262 -4.270 32.075 48.311 1.00106.96 C ATOM 42 C THR 262 -4.508 34.841 50.892 1.00106.96 C ATOM 43 O THR 262 -3.965 34.630 51.976 1.00106.96 O ATOM 44 N CYS 263 -5.529 35.711 50.748 1.00 48.27 N ATOM 45 CA CYS 263 -6.108 36.398 51.870 1.00 48.27 C ATOM 46 CB CYS 263 -7.006 37.580 51.461 1.00 48.27 C ATOM 47 SG CYS 263 -7.744 38.438 52.884 1.00 48.27 S ATOM 48 C CYS 263 -6.966 35.424 52.609 1.00 48.27 C ATOM 49 O CYS 263 -7.794 34.731 52.020 1.00 48.27 O ATOM 50 N THR 264 -6.797 35.361 53.940 1.00109.10 N ATOM 51 CA THR 264 -7.545 34.412 54.704 1.00109.10 C ATOM 52 CB THR 264 -7.157 34.410 56.151 1.00109.10 C ATOM 53 OG1 THR 264 -7.423 35.676 56.739 1.00109.10 O ATOM 54 CG2 THR 264 -5.656 34.085 56.242 1.00109.10 C ATOM 55 C THR 264 -9.007 34.719 54.614 1.00109.10 C ATOM 56 O THR 264 -9.827 33.815 54.457 1.00109.10 O ATOM 57 N GLN 265 -9.402 36.000 54.758 1.00171.75 N ATOM 58 CA GLN 265 -10.823 36.217 54.759 1.00171.75 C ATOM 59 CB GLN 265 -11.276 37.537 55.421 1.00171.75 C ATOM 60 CG GLN 265 -10.744 38.822 54.789 1.00171.75 C ATOM 61 CD GLN 265 -9.535 39.260 55.599 1.00171.75 C ATOM 62 OE1 GLN 265 -8.967 40.321 55.351 1.00171.75 O ATOM 63 NE2 GLN 265 -9.130 38.436 56.602 1.00171.75 N ATOM 64 C GLN 265 -11.486 36.086 53.415 1.00171.75 C ATOM 65 O GLN 265 -12.466 35.356 53.284 1.00171.75 O ATOM 66 N CYS 266 -10.987 36.816 52.396 1.00114.00 N ATOM 67 CA CYS 266 -11.548 36.879 51.066 1.00114.00 C ATOM 68 CB CYS 266 -10.983 38.095 50.319 1.00114.00 C ATOM 69 SG CYS 266 -11.620 38.274 48.635 1.00114.00 S ATOM 70 C CYS 266 -11.270 35.663 50.237 1.00114.00 C ATOM 71 O CYS 266 -12.159 35.148 49.560 1.00114.00 O ATOM 72 N GLY 267 -10.018 35.167 50.271 1.00 30.56 N ATOM 73 CA GLY 267 -9.650 34.055 49.446 1.00 30.56 C ATOM 74 C GLY 267 -8.991 34.568 48.192 1.00 30.56 C ATOM 75 O GLY 267 -8.596 33.780 47.335 1.00 30.56 O ATOM 76 N LYS 268 -8.849 35.904 48.033 1.00 83.90 N ATOM 77 CA LYS 268 -8.206 36.401 46.845 1.00 83.90 C ATOM 78 CB LYS 268 -8.468 37.889 46.544 1.00 83.90 C ATOM 79 CG LYS 268 -7.949 38.303 45.161 1.00 83.90 C ATOM 80 CD LYS 268 -8.506 39.632 44.648 1.00 83.90 C ATOM 81 CE LYS 268 -8.054 39.982 43.223 1.00 83.90 C ATOM 82 NZ LYS 268 -8.813 39.187 42.228 1.00 83.90 N ATOM 83 C LYS 268 -6.728 36.195 46.964 1.00 83.90 C ATOM 84 O LYS 268 -6.156 36.356 48.041 1.00 83.90 O ATOM 85 N SER 269 -6.065 35.840 45.839 1.00 96.59 N ATOM 86 CA SER 269 -4.663 35.514 45.878 1.00 96.59 C ATOM 87 CB SER 269 -4.348 34.153 45.230 1.00 96.59 C ATOM 88 OG SER 269 -4.803 34.136 43.884 1.00 96.59 O ATOM 89 C SER 269 -3.863 36.567 45.170 1.00 96.59 C ATOM 90 O SER 269 -4.350 37.211 44.242 1.00 96.59 O ATOM 91 N PHE 270 -2.598 36.766 45.613 1.00151.21 N ATOM 92 CA PHE 270 -1.739 37.777 45.050 1.00151.21 C ATOM 93 CB PHE 270 -1.543 38.994 45.972 1.00151.21 C ATOM 94 CG PHE 270 -2.843 39.718 46.051 1.00151.21 C ATOM 95 CD1 PHE 270 -3.783 39.371 46.991 1.00151.21 C ATOM 96 CD2 PHE 270 -3.129 40.742 45.178 1.00151.21 C ATOM 97 CE1 PHE 270 -4.986 40.035 47.062 1.00151.21 C ATOM 98 CE2 PHE 270 -4.328 41.413 45.245 1.00151.21 C ATOM 99 CZ PHE 270 -5.262 41.060 46.189 1.00151.21 C ATOM 100 C PHE 270 -0.377 37.204 44.790 1.00151.21 C ATOM 101 O PHE 270 0.061 36.240 45.418 1.00151.21 O ATOM 102 N SER 271 0.326 37.790 43.803 1.00 37.16 N ATOM 103 CA SER 271 1.641 37.346 43.452 1.00 37.16 C ATOM 104 CB SER 271 2.139 37.899 42.107 1.00 37.16 C ATOM 105 OG SER 271 2.278 39.311 42.175 1.00 37.16 O ATOM 106 C SER 271 2.616 37.763 44.511 1.00 37.16 C ATOM 107 O SER 271 3.639 37.106 44.705 1.00 37.16 O ATOM 108 N LYS 272 2.346 38.874 45.227 1.00 94.75 N ATOM 109 CA LYS 272 3.335 39.297 46.180 1.00 94.75 C ATOM 110 CB LYS 272 4.081 40.575 45.768 1.00 94.75 C ATOM 111 CG LYS 272 5.002 40.331 44.572 1.00 94.75 C ATOM 112 CD LYS 272 6.046 39.242 44.834 1.00 94.75 C ATOM 113 CE LYS 272 6.830 38.806 43.594 1.00 94.75 C ATOM 114 NZ LYS 272 7.798 37.747 43.964 1.00 94.75 N ATOM 115 C LYS 272 2.727 39.520 47.524 1.00 94.75 C ATOM 116 O LYS 272 1.563 39.897 47.655 1.00 94.75 O ATOM 117 N SER 273 3.549 39.282 48.565 1.00 65.27 N ATOM 118 CA SER 273 3.151 39.367 49.938 1.00 65.27 C ATOM 119 CB SER 273 4.267 38.919 50.894 1.00 65.27 C ATOM 120 OG SER 273 3.836 39.008 52.243 1.00 65.27 O ATOM 121 C SER 273 2.815 40.782 50.271 1.00 65.27 C ATOM 122 O SER 273 1.861 41.048 50.999 1.00 65.27 O ATOM 123 N SER 274 3.586 41.739 49.728 1.00 67.36 N ATOM 124 CA SER 274 3.374 43.115 50.068 1.00 67.36 C ATOM 125 CB SER 274 4.385 44.049 49.378 1.00 67.36 C ATOM 126 OG SER 274 5.701 43.704 49.785 1.00 67.36 O ATOM 127 C SER 274 1.999 43.527 49.647 1.00 67.36 C ATOM 128 O SER 274 1.284 44.177 50.408 1.00 67.36 O ATOM 129 N SER 275 1.596 43.148 48.418 1.00 25.20 N ATOM 130 CA SER 275 0.328 43.549 47.877 1.00 25.20 C ATOM 131 CB SER 275 0.136 43.097 46.420 1.00 25.20 C ATOM 132 OG SER 275 1.105 43.712 45.584 1.00 25.20 O ATOM 133 C SER 275 -0.773 42.954 48.696 1.00 25.20 C ATOM 134 O SER 275 -1.801 43.590 48.922 1.00 25.20 O ATOM 135 N LEU 276 -0.583 41.708 49.170 1.00105.10 N ATOM 136 CA LEU 276 -1.593 41.059 49.956 1.00105.10 C ATOM 137 CB LEU 276 -1.207 39.609 50.316 1.00105.10 C ATOM 138 CG LEU 276 -2.312 38.796 51.019 1.00105.10 C ATOM 139 CD1 LEU 276 -2.599 39.308 52.441 1.00105.10 C ATOM 140 CD2 LEU 276 -3.569 38.715 50.145 1.00105.10 C ATOM 141 C LEU 276 -1.762 41.855 51.217 1.00105.10 C ATOM 142 O LEU 276 -2.878 42.074 51.687 1.00105.10 O ATOM 143 N ASN 277 -0.644 42.341 51.785 1.00 83.42 N ATOM 144 CA ASN 277 -0.672 43.071 53.021 1.00 83.42 C ATOM 145 CB ASN 277 0.733 43.526 53.453 1.00 83.42 C ATOM 146 CG ASN 277 0.651 44.211 54.808 1.00 83.42 C ATOM 147 OD1 ASN 277 1.453 45.091 55.117 1.00 83.42 O ATOM 148 ND2 ASN 277 -0.348 43.803 55.636 1.00 83.42 N ATOM 149 C ASN 277 -1.528 44.291 52.872 1.00 83.42 C ATOM 150 O ASN 277 -2.345 44.576 53.747 1.00 83.42 O ATOM 151 N LYS 278 -1.379 45.047 51.767 1.00 71.80 N ATOM 152 CA LYS 278 -2.189 46.224 51.637 1.00 71.80 C ATOM 153 CB LYS 278 -1.920 47.076 50.381 1.00 71.80 C ATOM 154 CG LYS 278 -0.520 47.690 50.261 1.00 71.80 C ATOM 155 CD LYS 278 0.543 46.726 49.733 1.00 71.80 C ATOM 156 CE LYS 278 1.871 47.398 49.367 1.00 71.80 C ATOM 157 NZ LYS 278 2.754 46.428 48.685 1.00 71.80 N ATOM 158 C LYS 278 -3.619 45.794 51.550 1.00 71.80 C ATOM 159 O LYS 278 -4.504 46.422 52.129 1.00 71.80 O ATOM 160 N HIS 279 -3.873 44.683 50.832 1.00 65.50 N ATOM 161 CA HIS 279 -5.207 44.203 50.604 1.00 65.50 C ATOM 162 ND1 HIS 279 -7.656 42.935 48.941 1.00 65.50 N ATOM 163 CG HIS 279 -6.608 42.336 49.604 1.00 65.50 C ATOM 164 CB HIS 279 -5.233 42.925 49.742 1.00 65.50 C ATOM 165 NE2 HIS 279 -8.430 41.009 49.744 1.00 65.50 N ATOM 166 CD2 HIS 279 -7.098 41.161 50.086 1.00 65.50 C ATOM 167 CE1 HIS 279 -8.721 42.100 49.057 1.00 65.50 C ATOM 168 C HIS 279 -5.883 43.887 51.902 1.00 65.50 C ATOM 169 O HIS 279 -7.051 44.221 52.097 1.00 65.50 O ATOM 170 N MET 280 -5.160 43.261 52.846 1.00 91.43 N ATOM 171 CA MET 280 -5.787 42.856 54.071 1.00 91.43 C ATOM 172 CB MET 280 -4.843 42.147 55.054 1.00 91.43 C ATOM 173 CG MET 280 -3.806 43.069 55.690 1.00 91.43 C ATOM 174 SD MET 280 -2.947 42.329 57.109 1.00 91.43 S ATOM 175 CE MET 280 -2.172 40.992 56.150 1.00 91.43 C ATOM 176 C MET 280 -6.307 44.063 54.776 1.00 91.43 C ATOM 177 O MET 280 -7.379 44.035 55.377 1.00 91.43 O ATOM 178 N ARG 281 -5.571 45.179 54.689 1.00104.20 N ATOM 179 CA ARG 281 -5.943 46.359 55.411 1.00104.20 C ATOM 180 CB ARG 281 -4.993 47.536 55.140 1.00104.20 C ATOM 181 CG ARG 281 -3.585 47.260 55.671 1.00104.20 C ATOM 182 CD ARG 281 -2.542 48.264 55.186 1.00104.20 C ATOM 183 NE ARG 281 -2.583 49.448 56.086 1.00104.20 N ATOM 184 CZ ARG 281 -1.668 50.446 55.905 1.00104.20 C ATOM 185 NH1 ARG 281 -0.792 50.371 54.861 1.00104.20 N ATOM 186 NH2 ARG 281 -1.620 51.501 56.771 1.00104.20 N ATOM 187 C ARG 281 -7.318 46.763 54.994 1.00104.20 C ATOM 188 O ARG 281 -8.102 47.228 55.819 1.00104.20 O ATOM 189 N ILE 282 -7.662 46.588 53.705 1.00 83.92 N ATOM 190 CA ILE 282 -8.951 47.024 53.253 1.00 83.92 C ATOM 191 CB ILE 282 -9.147 46.804 51.780 1.00 83.92 C ATOM 192 CG1 ILE 282 -8.216 47.740 50.987 1.00 83.92 C ATOM 193 CG2 ILE 282 -10.640 46.987 51.464 1.00 83.92 C ATOM 194 CD1 ILE 282 -8.494 49.222 51.242 1.00 83.92 C ATOM 195 C ILE 282 -10.044 46.306 53.993 1.00 83.92 C ATOM 196 O ILE 282 -10.990 46.946 54.449 1.00 83.92 O ATOM 197 N HIS 283 -9.950 44.972 54.166 1.00 50.40 N ATOM 198 CA HIS 283 -11.012 44.278 54.845 1.00 50.40 C ATOM 199 ND1 HIS 283 -12.360 41.556 53.412 1.00 50.40 N ATOM 200 CG HIS 283 -11.094 41.994 53.723 1.00 50.40 C ATOM 201 CB HIS 283 -10.781 42.759 54.970 1.00 50.40 C ATOM 202 NE2 HIS 283 -11.030 40.880 51.764 1.00 50.40 N ATOM 203 CD2 HIS 283 -10.292 41.575 52.706 1.00 50.40 C ATOM 204 CE1 HIS 283 -12.266 40.895 52.231 1.00 50.40 C ATOM 205 C HIS 283 -11.132 44.812 56.232 1.00 50.40 C ATOM 206 O HIS 283 -12.226 45.134 56.693 1.00 50.40 O ATOM 207 N THR 284 -9.998 44.935 56.939 1.00 10.71 N ATOM 208 CA THR 284 -10.063 45.425 58.279 1.00 10.71 C ATOM 209 CB THR 284 -8.726 45.476 58.956 1.00 10.71 C ATOM 210 OG1 THR 284 -7.871 46.386 58.279 1.00 10.71 O ATOM 211 CG2 THR 284 -8.114 44.064 58.934 1.00 10.71 C ATOM 212 C THR 284 -10.612 46.843 58.206 1.00 10.71 C ATOM 213 O THR 284 -10.991 47.387 59.278 1.00 10.71 O ATOM 214 OXT THR 284 -10.661 47.399 57.075 1.00 10.71 O