EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:47 REMARK 6 MODELLER OBJECTIVE FUNCTION: 118.3253 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 55.172 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1915.19055 REMARK 6 GA341 score: 0.78059 REMARK 6 Normalized DOPE score: -0.18698 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 55.2% ATOM 1 N VAL 315 -20.714 38.324 47.932 1.00 87.37 N ATOM 2 CA VAL 315 -19.507 37.497 48.104 1.00 87.37 C ATOM 3 CB VAL 315 -18.275 38.320 47.820 1.00 87.37 C ATOM 4 CG1 VAL 315 -18.313 38.764 46.347 1.00 87.37 C ATOM 5 CG2 VAL 315 -18.177 39.492 48.812 1.00 87.37 C ATOM 6 C VAL 315 -19.431 36.904 49.479 1.00 87.37 C ATOM 7 O VAL 315 -19.266 35.695 49.628 1.00 87.37 O ATOM 8 N LYS 316 -19.563 37.740 50.528 1.00127.09 N ATOM 9 CA LYS 316 -19.487 37.250 51.876 1.00127.09 C ATOM 10 CB LYS 316 -18.481 38.060 52.713 1.00127.09 C ATOM 11 CG LYS 316 -18.249 39.476 52.172 1.00127.09 C ATOM 12 CD LYS 316 -19.458 40.407 52.172 1.00127.09 C ATOM 13 CE LYS 316 -19.133 41.792 51.597 1.00127.09 C ATOM 14 NZ LYS 316 -20.349 42.632 51.554 1.00127.09 N ATOM 15 C LYS 316 -20.845 37.336 52.498 1.00127.09 C ATOM 16 O LYS 316 -21.184 38.310 53.166 1.00127.09 O ATOM 17 N GLU 317 -21.647 36.274 52.304 1.00113.52 N ATOM 18 CA GLU 317 -23.015 36.222 52.733 1.00113.52 C ATOM 19 CB GLU 317 -23.780 35.037 52.112 1.00113.52 C ATOM 20 CG GLU 317 -25.289 35.256 52.059 1.00113.52 C ATOM 21 CD GLU 317 -25.567 36.264 50.951 1.00113.52 C ATOM 22 OE1 GLU 317 -25.131 36.017 49.795 1.00113.52 O ATOM 23 OE2 GLU 317 -26.209 37.305 51.249 1.00113.52 O ATOM 24 C GLU 317 -23.156 36.139 54.230 1.00113.52 C ATOM 25 O GLU 317 -24.054 36.761 54.794 1.00113.52 O ATOM 26 N HIS 318 -22.285 35.381 54.932 1.00 67.70 N ATOM 27 CA HIS 318 -22.516 35.191 56.342 1.00 67.70 C ATOM 28 ND1 HIS 318 -24.372 32.407 57.238 1.00 67.70 N ATOM 29 CG HIS 318 -23.372 32.838 56.393 1.00 67.70 C ATOM 30 CB HIS 318 -22.249 33.749 56.812 1.00 67.70 C ATOM 31 NE2 HIS 318 -24.829 31.552 55.237 1.00 67.70 N ATOM 32 CD2 HIS 318 -23.665 32.306 55.173 1.00 67.70 C ATOM 33 CE1 HIS 318 -25.213 31.644 56.495 1.00 67.70 C ATOM 34 C HIS 318 -21.749 36.173 57.174 1.00 67.70 C ATOM 35 O HIS 318 -20.521 36.238 57.138 1.00 67.70 O ATOM 36 N MET 319 -22.495 36.954 57.988 1.00 78.96 N ATOM 37 CA MET 319 -21.938 38.003 58.792 1.00 78.96 C ATOM 38 CB MET 319 -22.745 39.304 58.694 1.00 78.96 C ATOM 39 CG MET 319 -24.163 39.144 59.246 1.00 78.96 C ATOM 40 SD MET 319 -25.126 40.684 59.312 1.00 78.96 S ATOM 41 CE MET 319 -26.681 39.836 59.707 1.00 78.96 C ATOM 42 C MET 319 -21.976 37.610 60.238 1.00 78.96 C ATOM 43 O MET 319 -22.934 36.993 60.703 1.00 78.96 O ATOM 44 N CYS 320 -20.899 37.960 60.974 1.00 49.36 N ATOM 45 CA CYS 320 -20.795 37.714 62.389 1.00 49.36 C ATOM 46 CB CYS 320 -19.360 37.923 62.920 1.00 49.36 C ATOM 47 SG CYS 320 -19.176 37.626 64.705 1.00 49.36 S ATOM 48 C CYS 320 -21.680 38.703 63.078 1.00 49.36 C ATOM 49 O CYS 320 -21.587 39.905 62.846 1.00 49.36 O ATOM 50 N LEU 321 -22.565 38.225 63.970 1.00 87.48 N ATOM 51 CA LEU 321 -23.472 39.130 64.613 1.00 87.48 C ATOM 52 CB LEU 321 -24.500 38.403 65.495 1.00 87.48 C ATOM 53 CG LEU 321 -25.370 37.389 64.721 1.00 87.48 C ATOM 54 CD1 LEU 321 -26.170 38.075 63.608 1.00 87.48 C ATOM 55 CD2 LEU 321 -24.555 36.201 64.188 1.00 87.48 C ATOM 56 C LEU 321 -22.698 40.073 65.486 1.00 87.48 C ATOM 57 O LEU 321 -23.014 41.260 65.581 1.00 87.48 O ATOM 58 N GLU 322 -21.679 39.544 66.187 1.00113.73 N ATOM 59 CA GLU 322 -20.964 40.353 67.130 1.00113.73 C ATOM 60 CB GLU 322 -20.073 39.484 68.023 1.00113.73 C ATOM 61 CG GLU 322 -20.912 38.527 68.870 1.00113.73 C ATOM 62 CD GLU 322 -19.967 37.578 69.577 1.00113.73 C ATOM 63 OE1 GLU 322 -19.447 36.645 68.912 1.00113.73 O ATOM 64 OE2 GLU 322 -19.749 37.785 70.803 1.00113.73 O ATOM 65 C GLU 322 -20.122 41.442 66.508 1.00113.73 C ATOM 66 O GLU 322 -20.363 42.621 66.767 1.00113.73 O ATOM 67 N CYS 323 -19.094 41.074 65.704 1.00 80.16 N ATOM 68 CA CYS 323 -18.174 42.012 65.093 1.00 80.16 C ATOM 69 CB CYS 323 -16.752 41.450 64.872 1.00 80.16 C ATOM 70 SG CYS 323 -16.660 40.105 63.658 1.00 80.16 S ATOM 71 C CYS 323 -18.689 42.613 63.816 1.00 80.16 C ATOM 72 O CYS 323 -18.331 43.739 63.472 1.00 80.16 O ATOM 73 N GLU 324 -19.568 41.885 63.095 1.00109.06 N ATOM 74 CA GLU 324 -20.086 42.262 61.807 1.00109.06 C ATOM 75 CB GLU 324 -20.446 43.754 61.728 1.00109.06 C ATOM 76 CG GLU 324 -21.330 44.130 60.536 1.00109.06 C ATOM 77 CD GLU 324 -21.512 45.644 60.579 1.00109.06 C ATOM 78 OE1 GLU 324 -20.580 46.331 61.076 1.00109.06 O ATOM 79 OE2 GLU 324 -22.573 46.139 60.112 1.00109.06 O ATOM 80 C GLU 324 -19.095 41.964 60.710 1.00109.06 C ATOM 81 O GLU 324 -19.224 42.481 59.601 1.00109.06 O ATOM 82 N LYS 325 -18.105 41.081 60.967 1.00 53.74 N ATOM 83 CA LYS 325 -17.190 40.679 59.925 1.00 53.74 C ATOM 84 CB LYS 325 -15.912 39.993 60.448 1.00 53.74 C ATOM 85 CG LYS 325 -14.925 39.605 59.340 1.00 53.74 C ATOM 86 CD LYS 325 -13.510 39.257 59.820 1.00 53.74 C ATOM 87 CE LYS 325 -12.603 38.763 58.687 1.00 53.74 C ATOM 88 NZ LYS 325 -11.252 38.450 59.203 1.00 53.74 N ATOM 89 C LYS 325 -17.916 39.703 59.036 1.00 53.74 C ATOM 90 O LYS 325 -18.772 38.951 59.499 1.00 53.74 O ATOM 91 N THR 326 -17.579 39.671 57.725 1.00124.89 N ATOM 92 CA THR 326 -18.313 38.843 56.797 1.00124.89 C ATOM 93 CB THR 326 -18.738 39.594 55.573 1.00124.89 C ATOM 94 OG1 THR 326 -17.590 40.010 54.846 1.00124.89 O ATOM 95 CG2 THR 326 -19.548 40.828 55.994 1.00124.89 C ATOM 96 C THR 326 -17.444 37.727 56.292 1.00124.89 C ATOM 97 O THR 326 -16.231 37.885 56.154 1.00124.89 O ATOM 98 N PHE 327 -18.058 36.566 55.966 1.00 68.50 N ATOM 99 CA PHE 327 -17.303 35.416 55.539 1.00 68.50 C ATOM 100 CB PHE 327 -17.311 34.287 56.574 1.00 68.50 C ATOM 101 CG PHE 327 -16.651 34.794 57.799 1.00 68.50 C ATOM 102 CD1 PHE 327 -15.286 34.710 57.927 1.00 68.50 C ATOM 103 CD2 PHE 327 -17.396 35.344 58.814 1.00 68.50 C ATOM 104 CE1 PHE 327 -14.664 35.178 59.057 1.00 68.50 C ATOM 105 CE2 PHE 327 -16.776 35.813 59.946 1.00 68.50 C ATOM 106 CZ PHE 327 -15.411 35.725 60.071 1.00 68.50 C ATOM 107 C PHE 327 -17.918 34.805 54.320 1.00 68.50 C ATOM 108 O PHE 327 -19.133 34.827 54.123 1.00 68.50 O ATOM 109 N ILE 328 -17.049 34.228 53.467 1.00 75.69 N ATOM 110 CA ILE 328 -17.446 33.548 52.271 1.00 75.69 C ATOM 111 CB ILE 328 -16.283 33.157 51.401 1.00 75.69 C ATOM 112 CG1 ILE 328 -15.557 34.410 50.879 1.00 75.69 C ATOM 113 CG2 ILE 328 -16.806 32.238 50.281 1.00 75.69 C ATOM 114 CD1 ILE 328 -14.869 35.235 51.966 1.00 75.69 C ATOM 115 C ILE 328 -18.173 32.299 52.652 1.00 75.69 C ATOM 116 O ILE 328 -19.143 31.927 51.992 1.00 75.69 O ATOM 117 N THR 329 -17.709 31.599 53.714 1.00105.66 N ATOM 118 CA THR 329 -18.308 30.336 54.058 1.00105.66 C ATOM 119 CB THR 329 -17.363 29.172 53.953 1.00105.66 C ATOM 120 OG1 THR 329 -16.294 29.313 54.878 1.00105.66 O ATOM 121 CG2 THR 329 -16.818 29.114 52.517 1.00105.66 C ATOM 122 C THR 329 -18.812 30.340 55.466 1.00105.66 C ATOM 123 O THR 329 -18.246 30.970 56.359 1.00105.66 O ATOM 124 N ALA 330 -19.915 29.596 55.683 1.00 30.74 N ATOM 125 CA ALA 330 -20.548 29.480 56.962 1.00 30.74 C ATOM 126 CB ALA 330 -21.863 28.682 56.909 1.00 30.74 C ATOM 127 C ALA 330 -19.622 28.803 57.927 1.00 30.74 C ATOM 128 O ALA 330 -19.517 29.213 59.081 1.00 30.74 O ATOM 129 N ALA 331 -18.898 27.758 57.482 1.00 23.24 N ATOM 130 CA ALA 331 -18.062 27.016 58.387 1.00 23.24 C ATOM 131 CB ALA 331 -17.315 25.863 57.702 1.00 23.24 C ATOM 132 C ALA 331 -17.025 27.926 58.959 1.00 23.24 C ATOM 133 O ALA 331 -16.718 27.861 60.150 1.00 23.24 O ATOM 134 N ASN 332 -16.456 28.803 58.115 1.00 31.52 N ATOM 135 CA ASN 332 -15.447 29.712 58.564 1.00 31.52 C ATOM 136 CB ASN 332 -14.836 30.551 57.430 1.00 31.52 C ATOM 137 CG ASN 332 -13.971 29.613 56.602 1.00 31.52 C ATOM 138 OD1 ASN 332 -13.794 28.444 56.946 1.00 31.52 O ATOM 139 ND2 ASN 332 -13.408 30.135 55.478 1.00 31.52 N ATOM 140 C ASN 332 -16.048 30.644 59.569 1.00 31.52 C ATOM 141 O ASN 332 -15.398 30.994 60.552 1.00 31.52 O ATOM 142 N LEU 333 -17.310 31.065 59.356 1.00116.91 N ATOM 143 CA LEU 333 -17.950 31.989 60.254 1.00116.91 C ATOM 144 CB LEU 333 -19.429 32.236 59.885 1.00116.91 C ATOM 145 CG LEU 333 -20.155 33.412 60.592 1.00116.91 C ATOM 146 CD1 LEU 333 -21.677 33.215 60.501 1.00116.91 C ATOM 147 CD2 LEU 333 -19.648 33.740 62.009 1.00116.91 C ATOM 148 C LEU 333 -17.999 31.338 61.602 1.00116.91 C ATOM 149 O LEU 333 -17.660 31.953 62.613 1.00116.91 O ATOM 150 N LYS 334 -18.395 30.054 61.647 1.00141.74 N ATOM 151 CA LYS 334 -18.586 29.379 62.903 1.00141.74 C ATOM 152 CB LYS 334 -19.047 27.919 62.765 1.00141.74 C ATOM 153 CG LYS 334 -19.126 27.207 64.120 1.00141.74 C ATOM 154 CD LYS 334 -20.188 27.781 65.063 1.00141.74 C ATOM 155 CE LYS 334 -20.163 27.175 66.471 1.00141.74 C ATOM 156 NZ LYS 334 -20.451 25.724 66.416 1.00141.74 N ATOM 157 C LYS 334 -17.319 29.359 63.692 1.00141.74 C ATOM 158 O LYS 334 -17.342 29.575 64.903 1.00141.74 O ATOM 159 N ARG 335 -16.178 29.081 63.035 1.00 93.73 N ATOM 160 CA ARG 335 -14.927 29.023 63.736 1.00 93.73 C ATOM 161 CB ARG 335 -13.759 28.527 62.864 1.00 93.73 C ATOM 162 CG ARG 335 -13.751 27.004 62.679 1.00 93.73 C ATOM 163 CD ARG 335 -14.948 26.467 61.893 1.00 93.73 C ATOM 164 NE ARG 335 -14.822 24.983 61.821 1.00 93.73 N ATOM 165 CZ ARG 335 -15.932 24.218 61.619 1.00 93.73 C ATOM 166 NH1 ARG 335 -17.154 24.812 61.476 1.00 93.73 N ATOM 167 NH2 ARG 335 -15.819 22.858 61.548 1.00 93.73 N ATOM 168 C ARG 335 -14.599 30.386 64.270 1.00 93.73 C ATOM 169 O ARG 335 -14.078 30.520 65.376 1.00 93.73 O ATOM 170 N HIS 336 -14.909 31.436 63.487 1.00 57.61 N ATOM 171 CA HIS 336 -14.637 32.799 63.845 1.00 57.61 C ATOM 172 ND1 HIS 336 -13.561 35.787 63.113 1.00 57.61 N ATOM 173 CG HIS 336 -14.809 35.209 63.031 1.00 57.61 C ATOM 174 CB HIS 336 -15.053 33.762 62.723 1.00 57.61 C ATOM 175 NE2 HIS 336 -15.038 37.402 63.516 1.00 57.61 N ATOM 176 CD2 HIS 336 -15.698 36.207 63.278 1.00 57.61 C ATOM 177 CE1 HIS 336 -13.758 37.098 63.406 1.00 57.61 C ATOM 178 C HIS 336 -15.401 33.165 65.084 1.00 57.61 C ATOM 179 O HIS 336 -14.873 33.827 65.975 1.00 57.61 O ATOM 180 N GLN 337 -16.665 32.719 65.184 1.00 50.83 N ATOM 181 CA GLN 337 -17.493 33.050 66.315 1.00 50.83 C ATOM 182 CB GLN 337 -18.903 32.455 66.232 1.00 50.83 C ATOM 183 CG GLN 337 -19.765 33.051 65.124 1.00 50.83 C ATOM 184 CD GLN 337 -21.102 32.333 65.214 1.00 50.83 C ATOM 185 OE1 GLN 337 -21.304 31.488 66.085 1.00 50.83 O ATOM 186 NE2 GLN 337 -22.043 32.664 64.289 1.00 50.83 N ATOM 187 C GLN 337 -16.877 32.506 67.566 1.00 50.83 C ATOM 188 O GLN 337 -16.973 33.104 68.636 1.00 50.83 O ATOM 189 N ARG 338 -16.219 31.345 67.444 1.00111.34 N ATOM 190 CA ARG 338 -15.627 30.655 68.549 1.00111.34 C ATOM 191 CB ARG 338 -14.938 29.363 68.080 1.00111.34 C ATOM 192 CG ARG 338 -14.638 28.375 69.199 1.00111.34 C ATOM 193 CD ARG 338 -14.167 27.025 68.662 1.00111.34 C ATOM 194 NE ARG 338 -15.267 26.457 67.831 1.00111.34 N ATOM 195 CZ ARG 338 -14.982 25.479 66.922 1.00111.34 C ATOM 196 NH1 ARG 338 -13.695 25.057 66.750 1.00111.34 N ATOM 197 NH2 ARG 338 -15.979 24.931 66.171 1.00111.34 N ATOM 198 C ARG 338 -14.611 31.566 69.169 1.00111.34 C ATOM 199 O ARG 338 -14.373 31.536 70.376 1.00111.34 O ATOM 200 N ILE 339 -13.969 32.417 68.356 1.00 35.85 N ATOM 201 CA ILE 339 -12.988 33.297 68.909 1.00 35.85 C ATOM 202 CB ILE 339 -12.342 34.144 67.857 1.00 35.85 C ATOM 203 CG1 ILE 339 -11.587 33.239 66.865 1.00 35.85 C ATOM 204 CG2 ILE 339 -11.465 35.185 68.569 1.00 35.85 C ATOM 205 CD1 ILE 339 -11.193 33.939 65.565 1.00 35.85 C ATOM 206 C ILE 339 -13.651 34.192 69.923 1.00 35.85 C ATOM 207 O ILE 339 -13.111 34.392 71.010 1.00 35.85 O ATOM 208 N HIS 340 -14.841 34.749 69.610 1.00 87.44 N ATOM 209 CA HIS 340 -15.519 35.645 70.516 1.00 87.44 C ATOM 210 ND1 HIS 340 -16.521 36.306 67.410 1.00 87.44 N ATOM 211 CG HIS 340 -16.614 36.949 68.623 1.00 87.44 C ATOM 212 CB HIS 340 -16.820 36.231 69.924 1.00 87.44 C ATOM 213 NE2 HIS 340 -16.281 38.476 66.993 1.00 87.44 N ATOM 214 CD2 HIS 340 -16.469 38.277 68.350 1.00 87.44 C ATOM 215 CE1 HIS 340 -16.321 37.264 66.472 1.00 87.44 C ATOM 216 C HIS 340 -15.898 34.915 71.773 1.00 87.44 C ATOM 217 O HIS 340 -15.651 35.403 72.875 1.00 87.44 O ATOM 218 N THR 341 -16.505 33.719 71.629 1.00 90.90 N ATOM 219 CA THR 341 -16.978 32.919 72.726 1.00 90.90 C ATOM 220 CB THR 341 -17.723 31.698 72.261 1.00 90.90 C ATOM 221 OG1 THR 341 -18.163 30.941 73.377 1.00 90.90 O ATOM 222 CG2 THR 341 -16.819 30.832 71.374 1.00 90.90 C ATOM 223 C THR 341 -15.831 32.475 73.571 1.00 90.90 C ATOM 224 O THR 341 -15.915 32.509 74.796 1.00 90.90 O ATOM 225 N GLY 342 -14.719 32.060 72.934 1.00 11.96 N ATOM 226 CA GLY 342 -13.582 31.609 73.682 1.00 11.96 C ATOM 227 C GLY 342 -13.711 30.135 73.878 1.00 11.96 C ATOM 228 O GLY 342 -12.922 29.519 74.594 1.00 11.96 O ATOM 229 N GLU 343 -14.725 29.525 73.243 1.00 32.59 N ATOM 230 CA GLU 343 -14.858 28.112 73.385 1.00 32.59 C ATOM 231 CB GLU 343 -16.070 27.535 72.650 1.00 32.59 C ATOM 232 CG GLU 343 -17.409 27.893 73.290 1.00 32.59 C ATOM 233 CD GLU 343 -18.465 27.472 72.289 1.00 32.59 C ATOM 234 OE1 GLU 343 -18.296 27.838 71.095 1.00 32.59 O ATOM 235 OE2 GLU 343 -19.437 26.774 72.685 1.00 32.59 O ATOM 236 C GLU 343 -13.610 27.498 72.778 1.00 32.59 C ATOM 237 O GLU 343 -13.393 27.687 71.549 1.00 32.59 O ATOM 238 OXT GLU 343 -12.850 26.839 73.534 1.00 32.59 O