EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:05 REMARK 6 MODELLER OBJECTIVE FUNCTION: 80.3860 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 31.034 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1874.67200 REMARK 6 GA341 score: 0.73131 REMARK 6 Normalized DOPE score: -0.67586 REMARK 6 TEMPLATE: 1llmC01 101:C - 129:C MODELS 1: - 29: AT 31.0% ATOM 1 N GLY 325 -12.639 31.747 62.483 1.00 10.10 N ATOM 2 CA GLY 325 -12.304 33.129 62.070 1.00 10.10 C ATOM 3 C GLY 325 -10.838 33.366 62.191 1.00 10.10 C ATOM 4 O GLY 325 -10.058 32.430 62.361 1.00 10.10 O ATOM 5 N GLU 326 -10.427 34.643 62.093 1.00 46.15 N ATOM 6 CA GLU 326 -9.031 34.945 62.201 1.00 46.15 C ATOM 7 CB GLU 326 -8.613 36.114 61.294 1.00 46.15 C ATOM 8 CG GLU 326 -8.762 35.807 59.801 1.00 46.15 C ATOM 9 CD GLU 326 -8.638 37.118 59.035 1.00 46.15 C ATOM 10 OE1 GLU 326 -8.375 38.164 59.686 1.00 46.15 O ATOM 11 OE2 GLU 326 -8.812 37.091 57.789 1.00 46.15 O ATOM 12 C GLU 326 -8.798 35.376 63.613 1.00 46.15 C ATOM 13 O GLU 326 -9.000 36.538 63.959 1.00 46.15 O ATOM 14 N ARG 327 -8.354 34.428 64.457 1.00116.17 N ATOM 15 CA ARG 327 -8.145 34.642 65.859 1.00116.17 C ATOM 16 CB ARG 327 -7.846 33.329 66.603 1.00116.17 C ATOM 17 CG ARG 327 -8.972 32.294 66.488 1.00116.17 C ATOM 18 CD ARG 327 -8.725 31.017 67.293 1.00116.17 C ATOM 19 NE ARG 327 -9.432 31.159 68.599 1.00116.17 N ATOM 20 CZ ARG 327 -8.797 31.723 69.667 1.00116.17 C ATOM 21 NH1 ARG 327 -7.519 32.182 69.539 1.00116.17 N ATOM 22 NH2 ARG 327 -9.440 31.828 70.867 1.00116.17 N ATOM 23 C ARG 327 -7.003 35.581 66.114 1.00116.17 C ATOM 24 O ARG 327 -7.097 36.436 66.993 1.00116.17 O ATOM 25 N PHE 328 -5.893 35.467 65.355 1.00 73.54 N ATOM 26 CA PHE 328 -4.752 36.275 65.692 1.00 73.54 C ATOM 27 CB PHE 328 -3.422 35.505 65.711 1.00 73.54 C ATOM 28 CG PHE 328 -3.407 34.762 66.999 1.00 73.54 C ATOM 29 CD1 PHE 328 -4.083 33.575 67.149 1.00 73.54 C ATOM 30 CD2 PHE 328 -2.714 35.276 68.068 1.00 73.54 C ATOM 31 CE1 PHE 328 -4.057 32.910 68.352 1.00 73.54 C ATOM 32 CE2 PHE 328 -2.683 34.617 69.271 1.00 73.54 C ATOM 33 CZ PHE 328 -3.356 33.429 69.414 1.00 73.54 C ATOM 34 C PHE 328 -4.616 37.454 64.790 1.00 73.54 C ATOM 35 O PHE 328 -4.644 37.337 63.567 1.00 73.54 O ATOM 36 N ILE 329 -4.428 38.636 65.412 1.00 86.25 N ATOM 37 CA ILE 329 -4.345 39.873 64.698 1.00 86.25 C ATOM 38 CB ILE 329 -5.340 40.892 65.175 0.50 86.25 C ATOM 39 CG1 ILE 329 -5.347 42.126 64.257 1.00 86.25 C ATOM 40 CG2 ILE 329 -5.018 41.212 66.645 1.00 86.25 C ATOM 41 CD1 ILE 329 -6.519 43.073 64.515 1.00 86.25 C ATOM 42 C ILE 329 -2.993 40.471 64.903 1.00 86.25 C ATOM 43 O ILE 329 -2.416 40.399 65.988 1.00 86.25 O ATOM 44 N CYS 330 -2.449 41.063 63.823 1.00 36.23 N ATOM 45 CA CYS 330 -1.183 41.729 63.880 1.00 36.23 C ATOM 46 CB CYS 330 -0.501 41.844 62.502 1.00 36.23 C ATOM 47 SG CYS 330 1.108 42.686 62.566 1.00 36.23 S ATOM 48 C CYS 330 -1.466 43.110 64.372 1.00 36.23 C ATOM 49 O CYS 330 -2.404 43.764 63.922 1.00 36.23 O ATOM 50 N ILE 331 -0.664 43.578 65.343 1.00 92.00 N ATOM 51 CA ILE 331 -0.868 44.868 65.931 1.00 92.00 C ATOM 52 CB ILE 331 0.051 45.116 67.092 1.00 92.00 C ATOM 53 CG1 ILE 331 1.516 45.116 66.628 1.00 92.00 C ATOM 54 CG2 ILE 331 -0.253 44.063 68.171 1.00 92.00 C ATOM 55 CD1 ILE 331 2.489 45.626 67.689 1.00 92.00 C ATOM 56 C ILE 331 -0.638 45.949 64.920 1.00 92.00 C ATOM 57 O ILE 331 -1.395 46.919 64.870 1.00 92.00 O ATOM 58 N GLU 332 0.434 45.839 64.106 1.00 84.82 N ATOM 59 CA GLU 332 0.725 46.911 63.194 1.00 84.82 C ATOM 60 CB GLU 332 2.085 46.751 62.498 1.00 84.82 C ATOM 61 CG GLU 332 3.269 46.903 63.455 1.00 84.82 C ATOM 62 CD GLU 332 3.335 48.356 63.909 1.00 84.82 C ATOM 63 OE1 GLU 332 2.619 49.201 63.307 1.00 84.82 O ATOM 64 OE2 GLU 332 4.107 48.640 64.864 1.00 84.82 O ATOM 65 C GLU 332 -0.313 47.046 62.117 1.00 84.82 C ATOM 66 O GLU 332 -0.940 48.096 61.989 1.00 84.82 O ATOM 67 N CYS 333 -0.518 45.981 61.314 1.00103.38 N ATOM 68 CA CYS 333 -1.466 46.019 60.230 1.00103.38 C ATOM 69 CB CYS 333 -1.459 44.757 59.356 1.00103.38 C ATOM 70 SG CYS 333 0.076 44.474 58.448 1.00103.38 S ATOM 71 C CYS 333 -2.855 46.034 60.765 1.00103.38 C ATOM 72 O CYS 333 -3.699 46.823 60.346 1.00103.38 O ATOM 73 N GLY 334 -3.115 45.140 61.734 1.00 24.48 N ATOM 74 CA GLY 334 -4.445 44.970 62.224 1.00 24.48 C ATOM 75 C GLY 334 -5.065 43.863 61.420 1.00 24.48 C ATOM 76 O GLY 334 -6.252 43.574 61.559 1.00 24.48 O ATOM 77 N LYS 335 -4.266 43.210 60.549 1.00 70.68 N ATOM 78 CA LYS 335 -4.763 42.131 59.741 1.00 70.68 C ATOM 79 CB LYS 335 -3.820 41.753 58.578 1.00 70.68 C ATOM 80 CG LYS 335 -4.429 40.751 57.594 1.00 70.68 C ATOM 81 CD LYS 335 -3.706 40.678 56.246 1.00 70.68 C ATOM 82 CE LYS 335 -2.767 39.477 56.114 1.00 70.68 C ATOM 83 NZ LYS 335 -2.315 39.330 54.710 1.00 70.68 N ATOM 84 C LYS 335 -4.932 40.931 60.622 1.00 70.68 C ATOM 85 O LYS 335 -4.199 40.757 61.595 1.00 70.68 O ATOM 86 N GLY 336 -5.922 40.068 60.304 1.00 26.79 N ATOM 87 CA GLY 336 -6.172 38.921 61.132 1.00 26.79 C ATOM 88 C GLY 336 -5.758 37.693 60.388 1.00 26.79 C ATOM 89 O GLY 336 -5.803 37.645 59.159 1.00 26.79 O ATOM 90 N PHE 337 -5.351 36.649 61.137 1.00 50.91 N ATOM 91 CA PHE 337 -4.899 35.454 60.490 1.00 50.91 C ATOM 92 CB PHE 337 -3.382 35.235 60.616 1.00 50.91 C ATOM 93 CG PHE 337 -2.697 36.348 59.893 1.00 50.91 C ATOM 94 CD1 PHE 337 -2.497 37.566 60.504 1.00 50.91 C ATOM 95 CD2 PHE 337 -2.247 36.180 58.603 1.00 50.91 C ATOM 96 CE1 PHE 337 -1.865 38.593 59.844 1.00 50.91 C ATOM 97 CE2 PHE 337 -1.613 37.204 57.937 1.00 50.91 C ATOM 98 CZ PHE 337 -1.418 38.417 58.556 1.00 50.91 C ATOM 99 C PHE 337 -5.564 34.274 61.121 1.00 50.91 C ATOM 100 O PHE 337 -5.911 34.286 62.300 1.00 50.91 O ATOM 101 N LYS 338 -5.748 33.217 60.311 1.00 67.46 N ATOM 102 CA LYS 338 -6.373 31.993 60.706 1.00 67.46 C ATOM 103 CB LYS 338 -6.531 31.032 59.517 1.00 67.46 C ATOM 104 CG LYS 338 -7.480 29.859 59.769 1.00 67.46 C ATOM 105 CD LYS 338 -7.868 29.128 58.481 1.00 67.46 C ATOM 106 CE LYS 338 -8.816 27.944 58.686 1.00 67.46 C ATOM 107 NZ LYS 338 -9.097 27.290 57.387 1.00 67.46 N ATOM 108 C LYS 338 -5.526 31.314 61.743 1.00 67.46 C ATOM 109 O LYS 338 -6.056 30.710 62.675 1.00 67.46 O ATOM 110 N HIS 339 -4.182 31.374 61.613 1.00 48.16 N ATOM 111 CA HIS 339 -3.382 30.669 62.580 1.00 48.16 C ATOM 112 ND1 HIS 339 -4.217 27.496 63.005 1.00 48.16 N ATOM 113 CG HIS 339 -3.810 28.276 61.945 1.00 48.16 C ATOM 114 CB HIS 339 -2.776 29.355 62.056 1.00 48.16 C ATOM 115 NE2 HIS 339 -5.401 26.842 61.242 1.00 48.16 N ATOM 116 CD2 HIS 339 -4.541 27.862 60.875 1.00 48.16 C ATOM 117 CE1 HIS 339 -5.170 26.657 62.529 1.00 48.16 C ATOM 118 C HIS 339 -2.276 31.521 63.124 1.00 48.16 C ATOM 119 O HIS 339 -1.788 32.451 62.483 1.00 48.16 O ATOM 120 N LYS 340 -1.858 31.179 64.363 1.00 37.94 N ATOM 121 CA LYS 340 -0.857 31.869 65.124 1.00 37.94 C ATOM 122 CB LYS 340 -0.602 31.216 66.492 1.00 37.94 C ATOM 123 CG LYS 340 -1.840 31.119 67.384 1.00 37.94 C ATOM 124 CD LYS 340 -1.659 30.135 68.542 1.00 37.94 C ATOM 125 CE LYS 340 -2.883 30.016 69.447 1.00 37.94 C ATOM 126 NZ LYS 340 -2.644 28.983 70.477 1.00 37.94 N ATOM 127 C LYS 340 0.453 31.806 64.405 1.00 37.94 C ATOM 128 O LYS 340 1.190 32.789 64.368 1.00 37.94 O ATOM 129 N ARG 341 0.787 30.641 63.823 1.00 79.48 N ATOM 130 CA ARG 341 2.059 30.479 63.178 1.00 79.48 C ATOM 131 CB ARG 341 2.266 29.055 62.632 1.00 79.48 C ATOM 132 CG ARG 341 2.393 28.008 63.742 1.00 79.48 C ATOM 133 CD ARG 341 2.676 26.589 63.245 1.00 79.48 C ATOM 134 NE ARG 341 1.481 26.126 62.485 1.00 79.48 N ATOM 135 CZ ARG 341 1.370 24.811 62.132 1.00 79.48 C ATOM 136 NH1 ARG 341 2.350 23.928 62.484 1.00 79.48 N ATOM 137 NH2 ARG 341 0.282 24.379 61.431 1.00 79.48 N ATOM 138 C ARG 341 2.155 31.441 62.038 1.00 79.48 C ATOM 139 O ARG 341 3.195 32.065 61.832 1.00 79.48 O ATOM 140 N SER 342 1.063 31.598 61.271 1.00 59.88 N ATOM 141 CA SER 342 1.082 32.486 60.146 1.00 59.88 C ATOM 142 CB SER 342 -0.237 32.459 59.354 1.00 59.88 C ATOM 143 OG SER 342 -0.169 33.353 58.254 1.00 59.88 O ATOM 144 C SER 342 1.274 33.882 60.653 1.00 59.88 C ATOM 145 O SER 342 1.948 34.698 60.025 1.00 59.88 O ATOM 146 N LEU 343 0.676 34.196 61.816 1.00 39.63 N ATOM 147 CA LEU 343 0.783 35.519 62.355 1.00 39.63 C ATOM 148 CB LEU 343 -0.046 35.710 63.634 0.50 39.63 C ATOM 149 CG LEU 343 0.065 37.127 64.221 0.50 39.63 C ATOM 150 CD1 LEU 343 -0.422 38.193 63.226 0.50 39.63 C ATOM 151 CD2 LEU 343 -0.639 37.220 65.585 0.50 39.63 C ATOM 152 C LEU 343 2.211 35.797 62.701 1.00 39.63 C ATOM 153 O LEU 343 2.720 36.885 62.439 1.00 39.63 O ATOM 154 N SER 344 2.906 34.807 63.290 1.00 76.63 N ATOM 155 CA SER 344 4.254 35.028 63.729 1.00 76.63 C ATOM 156 CB SER 344 4.870 33.807 64.441 1.00 76.63 C ATOM 157 OG SER 344 5.025 32.728 63.530 1.00 76.63 O ATOM 158 C SER 344 5.134 35.376 62.567 1.00 76.63 C ATOM 159 O SER 344 5.908 36.331 62.637 1.00 76.63 O ATOM 160 N ASN 345 5.039 34.616 61.460 1.00 46.82 N ATOM 161 CA ASN 345 5.883 34.860 60.321 1.00 46.82 C ATOM 162 CB ASN 345 5.728 33.806 59.210 1.00 46.82 C ATOM 163 CG ASN 345 6.410 32.527 59.678 1.00 46.82 C ATOM 164 OD1 ASN 345 5.858 31.434 59.560 1.00 46.82 O ATOM 165 ND2 ASN 345 7.649 32.665 60.222 1.00 46.82 N ATOM 166 C ASN 345 5.557 36.198 59.735 1.00 46.82 C ATOM 167 O ASN 345 6.449 36.943 59.332 1.00 46.82 O ATOM 168 N HIS 346 4.260 36.543 59.702 1.00 52.12 N ATOM 169 CA HIS 346 3.806 37.769 59.115 1.00 52.12 C ATOM 170 ND1 HIS 346 1.593 39.618 57.443 1.00 52.12 N ATOM 171 CG HIS 346 1.805 39.271 58.758 1.00 52.12 C ATOM 172 CB HIS 346 2.281 37.931 59.222 1.00 52.12 C ATOM 173 NE2 HIS 346 1.114 41.414 58.665 1.00 52.12 N ATOM 174 CD2 HIS 346 1.508 40.378 59.490 1.00 52.12 C ATOM 175 CE1 HIS 346 1.181 40.911 57.446 1.00 52.12 C ATOM 176 C HIS 346 4.426 38.934 59.822 1.00 52.12 C ATOM 177 O HIS 346 4.834 39.908 59.192 1.00 52.12 O ATOM 178 N MET 347 4.547 38.844 61.155 1.00109.23 N ATOM 179 CA MET 347 5.028 39.929 61.962 1.00109.23 C ATOM 180 CB MET 347 5.040 39.580 63.458 1.00109.23 C ATOM 181 CG MET 347 5.233 40.792 64.370 1.00109.23 C ATOM 182 SD MET 347 5.091 40.421 66.144 1.00109.23 S ATOM 183 CE MET 347 4.979 42.157 66.664 1.00109.23 C ATOM 184 C MET 347 6.427 40.266 61.549 1.00109.23 C ATOM 185 O MET 347 6.831 41.429 61.569 1.00109.23 O ATOM 186 N GLU 348 7.200 39.245 61.142 1.00 49.18 N ATOM 187 CA GLU 348 8.570 39.429 60.768 1.00 49.18 C ATOM 188 CB GLU 348 9.276 38.128 60.362 1.00 49.18 C ATOM 189 CG GLU 348 9.610 37.233 61.556 1.00 49.18 C ATOM 190 CD GLU 348 10.543 36.135 61.068 1.00 49.18 C ATOM 191 OE1 GLU 348 10.184 35.451 60.074 1.00 49.18 O ATOM 192 OE2 GLU 348 11.635 35.973 61.675 1.00 49.18 O ATOM 193 C GLU 348 8.650 40.385 59.622 1.00 49.18 C ATOM 194 O GLU 348 9.660 41.063 59.458 1.00 49.18 O ATOM 195 N LEU 349 7.605 40.462 58.782 1.00120.53 N ATOM 196 CA LEU 349 7.679 41.355 57.663 1.00120.53 C ATOM 197 CB LEU 349 6.385 41.344 56.824 1.00120.53 C ATOM 198 CG LEU 349 6.443 42.142 55.501 1.00120.53 C ATOM 199 CD1 LEU 349 6.597 43.657 55.726 1.00120.53 C ATOM 200 CD2 LEU 349 7.506 41.565 54.556 1.00120.53 C ATOM 201 C LEU 349 7.878 42.736 58.208 1.00120.53 C ATOM 202 O LEU 349 8.681 43.505 57.681 1.00120.53 O ATOM 203 N HIS 350 7.151 43.089 59.284 1.00 42.56 N ATOM 204 CA HIS 350 7.266 44.402 59.854 1.00 42.56 C ATOM 205 ND1 HIS 350 4.116 45.463 60.014 1.00 42.56 N ATOM 206 CG HIS 350 4.863 44.468 60.604 1.00 42.56 C ATOM 207 CB HIS 350 6.291 44.617 61.019 1.00 42.56 C ATOM 208 NE2 HIS 350 2.791 43.687 60.182 1.00 42.56 N ATOM 209 CD2 HIS 350 4.038 43.389 60.700 1.00 42.56 C ATOM 210 CE1 HIS 350 2.888 44.942 59.784 1.00 42.56 C ATOM 211 C HIS 350 8.640 44.592 60.416 1.00 42.56 C ATOM 212 O HIS 350 9.299 45.596 60.151 1.00 42.56 O ATOM 213 N ASN 351 9.114 43.606 61.200 1.00 24.97 N ATOM 214 CA ASN 351 10.378 43.731 61.864 1.00 24.97 C ATOM 215 CB ASN 351 10.692 42.542 62.791 1.00 24.97 C ATOM 216 CG ASN 351 9.751 42.637 63.985 1.00 24.97 C ATOM 217 OD1 ASN 351 9.084 43.652 64.183 1.00 24.97 O ATOM 218 ND2 ASN 351 9.695 41.557 64.810 1.00 24.97 N ATOM 219 C ASN 351 11.461 43.825 60.844 1.00 24.97 C ATOM 220 O ASN 351 12.378 44.634 60.974 1.00 24.97 O ATOM 221 N GLY 352 11.367 43.017 59.776 1.00 14.97 N ATOM 222 CA GLY 352 12.396 43.017 58.783 1.00 14.97 C ATOM 223 C GLY 352 13.260 41.824 59.032 1.00 14.97 C ATOM 224 O GLY 352 14.160 41.522 58.250 1.00 14.97 O ATOM 225 N GLU 353 13.017 41.110 60.146 1.00 25.99 N ATOM 226 CA GLU 353 13.788 39.930 60.390 1.00 25.99 C ATOM 227 CB GLU 353 13.775 39.469 61.857 1.00 25.99 C ATOM 228 CG GLU 353 14.690 38.271 62.121 1.00 25.99 C ATOM 229 CD GLU 353 14.466 37.806 63.552 1.00 25.99 C ATOM 230 OE1 GLU 353 13.398 37.187 63.807 1.00 25.99 O ATOM 231 OE2 GLU 353 15.358 38.057 64.406 1.00 25.99 O ATOM 232 C GLU 353 13.119 38.827 59.585 1.00 25.99 C ATOM 233 O GLU 353 13.748 38.295 58.634 1.00 25.99 O ATOM 234 OXT GLU 353 11.951 38.502 59.916 1.00 25.99 O