EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:58:51 REMARK 6 MODELLER OBJECTIVE FUNCTION: 86.4805 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 45.455 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1351.56982 REMARK 6 GA341 score: 0.95631 REMARK 6 Normalized DOPE score: -0.72371 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 45.5% ATOM 1 N GLU 322 5.232 9.495 54.208 1.00 53.49 N ATOM 2 CA GLU 322 3.917 9.383 53.539 1.00 53.49 C ATOM 3 CB GLU 322 2.920 8.652 54.457 1.00 53.49 C ATOM 4 CG GLU 322 2.720 9.300 55.830 1.00 53.49 C ATOM 5 CD GLU 322 1.674 8.480 56.570 1.00 53.49 C ATOM 6 OE1 GLU 322 1.218 7.456 55.995 1.00 53.49 O ATOM 7 OE2 GLU 322 1.310 8.868 57.711 1.00 53.49 O ATOM 8 C GLU 322 3.369 10.722 53.167 1.00 53.49 C ATOM 9 O GLU 322 3.983 11.463 52.399 1.00 53.49 O ATOM 10 N SER 323 2.178 11.062 53.693 1.00 41.93 N ATOM 11 CA SER 323 1.613 12.337 53.376 1.00 41.93 C ATOM 12 CB SER 323 0.101 12.281 53.111 1.00 41.93 C ATOM 13 OG SER 323 -0.155 11.446 51.991 1.00 41.93 O ATOM 14 C SER 323 1.841 13.222 54.557 1.00 41.93 C ATOM 15 O SER 323 1.222 13.065 55.608 1.00 41.93 O ATOM 16 N ALA 324 2.750 14.194 54.379 1.00 50.42 N ATOM 17 CA ALA 324 3.178 15.114 55.387 1.00 50.42 C ATOM 18 CB ALA 324 4.346 15.997 54.915 1.00 50.42 C ATOM 19 C ALA 324 2.080 16.031 55.825 1.00 50.42 C ATOM 20 O ALA 324 1.992 16.348 57.009 1.00 50.42 O ATOM 21 N TYR 325 1.210 16.498 54.905 1.00122.26 N ATOM 22 CA TYR 325 0.297 17.514 55.349 1.00122.26 C ATOM 23 CB TYR 325 0.301 18.757 54.445 1.00122.26 C ATOM 24 CG TYR 325 1.650 19.363 54.606 1.00122.26 C ATOM 25 CD1 TYR 325 2.709 18.932 53.841 1.00122.26 C ATOM 26 CD2 TYR 325 1.854 20.354 55.535 1.00122.26 C ATOM 27 CE1 TYR 325 3.955 19.489 53.998 1.00122.26 C ATOM 28 CE2 TYR 325 3.098 20.915 55.697 1.00122.26 C ATOM 29 CZ TYR 325 4.149 20.483 54.926 1.00122.26 C ATOM 30 OH TYR 325 5.428 21.054 55.087 1.00122.26 O ATOM 31 C TYR 325 -1.110 17.016 55.441 1.00122.26 C ATOM 32 O TYR 325 -1.743 16.646 54.454 1.00122.26 O ATOM 33 N PRO 326 -1.578 16.986 56.664 1.00 79.66 N ATOM 34 CA PRO 326 -2.949 16.633 56.917 1.00 79.66 C ATOM 35 CD PRO 326 -0.715 16.573 57.756 1.00 79.66 C ATOM 36 CB PRO 326 -2.978 15.941 58.281 1.00 79.66 C ATOM 37 CG PRO 326 -1.654 16.347 58.946 1.00 79.66 C ATOM 38 C PRO 326 -3.836 17.840 56.870 1.00 79.66 C ATOM 39 O PRO 326 -3.368 18.944 57.147 1.00 79.66 O ATOM 40 N CYS 327 -5.129 17.647 56.546 1.00 40.32 N ATOM 41 CA CYS 327 -6.057 18.739 56.549 1.00 40.32 C ATOM 42 CB CYS 327 -7.205 18.570 55.538 1.00 40.32 C ATOM 43 SG CYS 327 -8.376 19.961 55.558 1.00 40.32 S ATOM 44 C CYS 327 -6.651 18.776 57.920 1.00 40.32 C ATOM 45 O CYS 327 -7.069 17.755 58.463 1.00 40.32 O ATOM 46 N SER 328 -6.698 19.972 58.531 1.00 34.60 N ATOM 47 CA SER 328 -7.189 20.061 59.873 1.00 34.60 C ATOM 48 CB SER 328 -7.099 21.484 60.450 1.00 34.60 C ATOM 49 OG SER 328 -7.952 22.361 59.729 1.00 34.60 O ATOM 50 C SER 328 -8.626 19.655 59.911 1.00 34.60 C ATOM 51 O SER 328 -9.049 18.942 60.820 1.00 34.60 O ATOM 52 N GLU 329 -9.427 20.118 58.934 1.00 92.36 N ATOM 53 CA GLU 329 -10.833 19.844 59.006 1.00 92.36 C ATOM 54 CB GLU 329 -11.609 20.596 57.911 1.00 92.36 C ATOM 55 CG GLU 329 -11.550 22.122 58.034 1.00 92.36 C ATOM 56 CD GLU 329 -12.077 22.716 56.732 1.00 92.36 C ATOM 57 OE1 GLU 329 -11.541 22.337 55.657 1.00 92.36 O ATOM 58 OE2 GLU 329 -13.020 23.550 56.793 1.00 92.36 O ATOM 59 C GLU 329 -11.151 18.381 58.838 1.00 92.36 C ATOM 60 O GLU 329 -11.654 17.740 59.761 1.00 92.36 O ATOM 61 N CYS 330 -10.860 17.829 57.638 1.00 61.12 N ATOM 62 CA CYS 330 -11.183 16.471 57.272 1.00 61.12 C ATOM 63 CB CYS 330 -11.199 16.258 55.749 1.00 61.12 C ATOM 64 SG CYS 330 -9.618 16.671 54.957 1.00 61.12 S ATOM 65 C CYS 330 -10.274 15.447 57.884 1.00 61.12 C ATOM 66 O CYS 330 -10.730 14.393 58.325 1.00 61.12 O ATOM 67 N GLY 331 -8.956 15.721 57.935 1.00 27.42 N ATOM 68 CA GLY 331 -8.046 14.736 58.450 1.00 27.42 C ATOM 69 C GLY 331 -7.422 13.994 57.300 1.00 27.42 C ATOM 70 O GLY 331 -6.649 13.061 57.506 1.00 27.42 O ATOM 71 N LYS 332 -7.749 14.391 56.054 1.00 60.73 N ATOM 72 CA LYS 332 -7.199 13.774 54.876 1.00 60.73 C ATOM 73 CB LYS 332 -7.926 14.239 53.601 1.00 60.73 C ATOM 74 CG LYS 332 -7.459 13.603 52.291 1.00 60.73 C ATOM 75 CD LYS 332 -8.402 13.931 51.129 1.00 60.73 C ATOM 76 CE LYS 332 -7.912 13.460 49.758 1.00 60.73 C ATOM 77 NZ LYS 332 -8.803 13.988 48.699 1.00 60.73 N ATOM 78 C LYS 332 -5.757 14.185 54.773 1.00 60.73 C ATOM 79 O LYS 332 -5.407 15.317 55.105 1.00 60.73 O ATOM 80 N ALA 333 -4.874 13.274 54.302 1.00 48.65 N ATOM 81 CA ALA 333 -3.467 13.581 54.227 1.00 48.65 C ATOM 82 CB ALA 333 -2.574 12.521 54.896 1.00 48.65 C ATOM 83 C ALA 333 -3.056 13.665 52.788 1.00 48.65 C ATOM 84 O ALA 333 -3.604 12.969 51.934 1.00 48.65 O ATOM 85 N PHE 334 -2.065 14.537 52.485 1.00141.28 N ATOM 86 CA PHE 334 -1.647 14.746 51.124 1.00141.28 C ATOM 87 CB PHE 334 -1.985 16.155 50.604 1.00141.28 C ATOM 88 CG PHE 334 -3.466 16.300 50.550 1.00141.28 C ATOM 89 CD1 PHE 334 -4.170 16.685 51.669 1.00141.28 C ATOM 90 CD2 PHE 334 -4.153 16.040 49.386 1.00141.28 C ATOM 91 CE1 PHE 334 -5.537 16.821 51.627 1.00141.28 C ATOM 92 CE2 PHE 334 -5.520 16.175 49.338 1.00141.28 C ATOM 93 CZ PHE 334 -6.213 16.567 50.459 1.00141.28 C ATOM 94 C PHE 334 -0.158 14.633 51.032 1.00141.28 C ATOM 95 O PHE 334 0.571 14.961 51.966 1.00141.28 O ATOM 96 N LEU 335 0.321 14.138 49.873 1.00125.90 N ATOM 97 CA LEU 335 1.719 14.013 49.587 1.00125.90 C ATOM 98 CB LEU 335 2.000 13.239 48.287 1.00125.90 C ATOM 99 CG LEU 335 3.505 13.105 47.983 1.00125.90 C ATOM 100 CD1 LEU 335 4.228 12.338 49.103 1.00125.90 C ATOM 101 CD2 LEU 335 3.751 12.499 46.591 1.00125.90 C ATOM 102 C LEU 335 2.312 15.382 49.434 1.00125.90 C ATOM 103 O LEU 335 3.448 15.620 49.843 1.00125.90 O ATOM 104 N THR 336 1.564 16.329 48.828 1.00101.78 N ATOM 105 CA THR 336 2.139 17.625 48.586 1.00101.78 C ATOM 106 CB THR 336 2.252 17.949 47.130 1.00101.78 C ATOM 107 OG1 THR 336 2.957 19.167 46.943 1.00101.78 O ATOM 108 CG2 THR 336 0.833 18.057 46.552 1.00101.78 C ATOM 109 C THR 336 1.304 18.699 49.212 1.00101.78 C ATOM 110 O THR 336 0.085 18.585 49.334 1.00101.78 O ATOM 111 N ASN 337 1.983 19.791 49.623 1.00 78.37 N ATOM 112 CA ASN 337 1.383 20.922 50.275 1.00 78.37 C ATOM 113 CB ASN 337 2.425 21.958 50.733 1.00 78.37 C ATOM 114 CG ASN 337 1.694 23.089 51.443 1.00 78.37 C ATOM 115 OD1 ASN 337 1.592 23.105 52.669 1.00 78.37 O ATOM 116 ND2 ASN 337 1.168 24.064 50.653 1.00 78.37 N ATOM 117 C ASN 337 0.451 21.616 49.334 1.00 78.37 C ATOM 118 O ASN 337 -0.632 22.049 49.726 1.00 78.37 O ATOM 119 N ARG 338 0.848 21.730 48.055 1.00 97.32 N ATOM 120 CA ARG 338 0.075 22.460 47.094 1.00 97.32 C ATOM 121 CB ARG 338 0.723 22.425 45.700 1.00 97.32 C ATOM 122 CG ARG 338 2.181 22.892 45.709 1.00 97.32 C ATOM 123 CD ARG 338 2.371 24.392 45.477 1.00 97.32 C ATOM 124 NE ARG 338 3.815 24.691 45.703 1.00 97.32 N ATOM 125 CZ ARG 338 4.728 24.459 44.715 1.00 97.32 C ATOM 126 NH1 ARG 338 4.328 23.916 43.528 1.00 97.32 N ATOM 127 NH2 ARG 338 6.043 24.770 44.912 1.00 97.32 N ATOM 128 C ARG 338 -1.271 21.817 46.978 1.00 97.32 C ATOM 129 O ARG 338 -2.291 22.504 46.937 1.00 97.32 O ATOM 130 N GLN 339 -1.302 20.472 46.925 1.00 75.68 N ATOM 131 CA GLN 339 -2.535 19.752 46.778 1.00 75.68 C ATOM 132 CB GLN 339 -2.344 18.237 46.596 1.00 75.68 C ATOM 133 CG GLN 339 -1.788 17.850 45.225 1.00 75.68 C ATOM 134 CD GLN 339 -2.867 18.118 44.185 1.00 75.68 C ATOM 135 OE1 GLN 339 -2.581 18.290 43.002 1.00 75.68 O ATOM 136 NE2 GLN 339 -4.148 18.159 44.640 1.00 75.68 N ATOM 137 C GLN 339 -3.385 19.959 47.990 1.00 75.68 C ATOM 138 O GLN 339 -4.602 20.090 47.883 1.00 75.68 O ATOM 139 N LEU 340 -2.767 20.000 49.184 1.00 99.41 N ATOM 140 CA LEU 340 -3.533 20.146 50.387 1.00 99.41 C ATOM 141 CB LEU 340 -2.637 20.192 51.645 1.00 99.41 C ATOM 142 CG LEU 340 -3.352 20.062 53.016 1.00 99.41 C ATOM 143 CD1 LEU 340 -2.357 20.300 54.163 1.00 99.41 C ATOM 144 CD2 LEU 340 -4.616 20.927 53.152 1.00 99.41 C ATOM 145 C LEU 340 -4.244 21.458 50.290 1.00 99.41 C ATOM 146 O LEU 340 -5.430 21.555 50.604 1.00 99.41 O ATOM 147 N LYS 341 -3.534 22.505 49.827 1.00 82.14 N ATOM 148 CA LYS 341 -4.122 23.812 49.794 1.00 82.14 C ATOM 149 CB LYS 341 -3.147 24.915 49.335 1.00 82.14 C ATOM 150 CG LYS 341 -3.707 26.325 49.547 1.00 82.14 C ATOM 151 CD LYS 341 -2.656 27.439 49.514 1.00 82.14 C ATOM 152 CE LYS 341 -2.440 28.063 48.133 1.00 82.14 C ATOM 153 NZ LYS 341 -1.411 29.124 48.221 1.00 82.14 N ATOM 154 C LYS 341 -5.306 23.801 48.882 1.00 82.14 C ATOM 155 O LYS 341 -6.351 24.362 49.208 1.00 82.14 O ATOM 156 N GLU 342 -5.188 23.138 47.718 1.00 21.75 N ATOM 157 CA GLU 342 -6.292 23.125 46.807 1.00 21.75 C ATOM 158 CB GLU 342 -5.992 22.344 45.516 1.00 21.75 C ATOM 159 CG GLU 342 -4.980 23.041 44.602 1.00 21.75 C ATOM 160 CD GLU 342 -4.742 22.143 43.395 1.00 21.75 C ATOM 161 OE1 GLU 342 -4.500 20.925 43.609 1.00 21.75 O ATOM 162 OE2 GLU 342 -4.804 22.657 42.247 1.00 21.75 O ATOM 163 C GLU 342 -7.438 22.462 47.500 1.00 21.75 C ATOM 164 O GLU 342 -8.568 22.947 47.458 1.00 21.75 O ATOM 165 N HIS 343 -7.169 21.339 48.190 1.00 25.29 N ATOM 166 CA HIS 343 -8.230 20.671 48.879 1.00 25.29 C ATOM 167 ND1 HIS 343 -9.651 17.698 49.660 1.00 25.29 N ATOM 168 CG HIS 343 -8.887 18.657 50.286 1.00 25.29 C ATOM 169 CB HIS 343 -7.768 19.410 49.630 1.00 25.29 C ATOM 170 NE2 HIS 343 -10.403 17.848 51.748 1.00 25.29 N ATOM 171 CD2 HIS 343 -9.360 18.737 51.559 1.00 25.29 C ATOM 172 CE1 HIS 343 -10.542 17.247 50.580 1.00 25.29 C ATOM 173 C HIS 343 -8.782 21.653 49.904 1.00 25.29 C ATOM 174 O HIS 343 -9.950 21.463 50.339 1.00 25.29 O ATOM 175 OXT HIS 343 -8.045 22.610 50.262 1.00 25.29 O