EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:12 REMARK 6 MODELLER OBJECTIVE FUNCTION: 81.1399 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1271.03894 REMARK 6 GA341 score: 0.97769 REMARK 6 Normalized DOPE score: -0.43983 REMARK 6 TEMPLATE: 1a1iA03 160:A - 182:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 322 3.825 13.267 19.867 1.00 27.38 N ATOM 2 CA GLU 322 2.983 13.751 20.986 1.00 27.38 C ATOM 3 CB GLU 322 1.931 12.698 21.366 1.00 27.38 C ATOM 4 CG GLU 322 1.052 13.129 22.544 1.00 27.38 C ATOM 5 CD GLU 322 0.082 11.997 22.848 1.00 27.38 C ATOM 6 OE1 GLU 322 -0.112 11.125 21.960 1.00 27.38 O ATOM 7 OE2 GLU 322 -0.478 11.991 23.976 1.00 27.38 O ATOM 8 C GLU 322 3.775 14.036 22.216 1.00 27.38 C ATOM 9 O GLU 322 4.876 13.515 22.399 1.00 27.38 O ATOM 10 N LYS 323 3.232 14.913 23.079 1.00 84.71 N ATOM 11 CA LYS 323 3.872 15.198 24.329 1.00 84.71 C ATOM 12 CB LYS 323 4.425 16.627 24.399 1.00 84.71 C ATOM 13 CG LYS 323 5.570 16.867 23.416 1.00 84.71 C ATOM 14 CD LYS 323 5.846 18.347 23.146 1.00 84.71 C ATOM 15 CE LYS 323 7.075 18.579 22.266 1.00 84.71 C ATOM 16 NZ LYS 323 7.001 17.725 21.059 1.00 84.71 N ATOM 17 C LYS 323 2.807 15.077 25.367 1.00 84.71 C ATOM 18 O LYS 323 2.023 15.998 25.598 1.00 84.71 O ATOM 19 N PRO 324 2.766 13.935 25.982 1.00151.01 N ATOM 20 CA PRO 324 1.769 13.643 26.973 1.00151.01 C ATOM 21 CD PRO 324 3.314 12.730 25.387 1.00151.01 C ATOM 22 CB PRO 324 1.772 12.121 27.147 1.00151.01 C ATOM 23 CG PRO 324 3.062 11.650 26.447 1.00151.01 C ATOM 24 C PRO 324 1.931 14.385 28.259 1.00151.01 C ATOM 25 O PRO 324 0.957 14.478 29.004 1.00151.01 O ATOM 26 N PHE 325 3.133 14.907 28.564 1.00114.42 N ATOM 27 CA PHE 325 3.279 15.507 29.858 1.00114.42 C ATOM 28 CB PHE 325 4.488 14.959 30.634 1.00114.42 C ATOM 29 CG PHE 325 4.133 13.562 31.007 1.00114.42 C ATOM 30 CD1 PHE 325 4.349 12.525 30.129 1.00114.42 C ATOM 31 CD2 PHE 325 3.563 13.296 32.229 1.00114.42 C ATOM 32 CE1 PHE 325 4.011 11.237 30.471 1.00114.42 C ATOM 33 CE2 PHE 325 3.223 12.011 32.576 1.00114.42 C ATOM 34 CZ PHE 325 3.450 10.978 31.698 1.00114.42 C ATOM 35 C PHE 325 3.444 16.985 29.738 1.00114.42 C ATOM 36 O PHE 325 4.392 17.470 29.125 1.00114.42 O ATOM 37 N ALA 326 2.526 17.744 30.371 1.00 30.05 N ATOM 38 CA ALA 326 2.590 19.174 30.314 1.00 30.05 C ATOM 39 CB ALA 326 1.275 19.825 29.857 1.00 30.05 C ATOM 40 C ALA 326 2.884 19.688 31.687 1.00 30.05 C ATOM 41 O ALA 326 2.355 19.190 32.681 1.00 30.05 O ATOM 42 N CYS 327 3.752 20.716 31.764 1.00 44.15 N ATOM 43 CA CYS 327 4.111 21.271 33.034 1.00 44.15 C ATOM 44 CB CYS 327 5.290 22.252 32.969 1.00 44.15 C ATOM 45 SG CYS 327 5.710 22.939 34.598 1.00 44.15 S ATOM 46 C CYS 327 2.918 21.995 33.561 1.00 44.15 C ATOM 47 O CYS 327 2.216 22.691 32.832 1.00 44.15 O ATOM 48 N ASP 328 2.648 21.835 34.866 1.00 46.76 N ATOM 49 CA ASP 328 1.478 22.456 35.407 1.00 46.76 C ATOM 50 CB ASP 328 1.234 22.090 36.881 1.00 46.76 C ATOM 51 CG ASP 328 0.778 20.636 36.923 1.00 46.76 C ATOM 52 OD1 ASP 328 0.113 20.206 35.942 1.00 46.76 O ATOM 53 OD2 ASP 328 1.086 19.935 37.924 1.00 46.76 O ATOM 54 C ASP 328 1.585 23.948 35.308 1.00 46.76 C ATOM 55 O ASP 328 0.627 24.611 34.910 1.00 46.76 O ATOM 56 N GLN 329 2.735 24.532 35.698 1.00117.41 N ATOM 57 CA GLN 329 2.767 25.968 35.685 1.00117.41 C ATOM 58 CB GLN 329 3.920 26.557 36.513 1.00117.41 C ATOM 59 CG GLN 329 3.880 28.087 36.587 1.00117.41 C ATOM 60 CD GLN 329 4.901 28.540 37.625 1.00117.41 C ATOM 61 OE1 GLN 329 5.524 27.722 38.300 1.00117.41 O ATOM 62 NE2 GLN 329 5.069 29.881 37.773 1.00117.41 N ATOM 63 C GLN 329 2.838 26.567 34.308 1.00117.41 C ATOM 64 O GLN 329 1.984 27.377 33.945 1.00117.41 O ATOM 65 N CYS 330 3.873 26.199 33.517 1.00 55.75 N ATOM 66 CA CYS 330 4.078 26.754 32.201 1.00 55.75 C ATOM 67 CB CYS 330 5.520 26.575 31.687 1.00 55.75 C ATOM 68 SG CYS 330 6.033 24.845 31.513 1.00 55.75 S ATOM 69 C CYS 330 3.134 26.175 31.194 1.00 55.75 C ATOM 70 O CYS 330 2.600 26.888 30.346 1.00 55.75 O ATOM 71 N GLY 331 2.899 24.851 31.256 1.00 27.05 N ATOM 72 CA GLY 331 2.017 24.232 30.308 1.00 27.05 C ATOM 73 C GLY 331 2.821 23.627 29.197 1.00 27.05 C ATOM 74 O GLY 331 2.266 22.969 28.317 1.00 27.05 O ATOM 75 N LYS 332 4.157 23.809 29.205 1.00115.31 N ATOM 76 CA LYS 332 4.913 23.246 28.124 1.00115.31 C ATOM 77 CB LYS 332 6.376 23.702 28.043 1.00115.31 C ATOM 78 CG LYS 332 6.461 25.165 27.621 1.00115.31 C ATOM 79 CD LYS 332 7.876 25.731 27.531 1.00115.31 C ATOM 80 CE LYS 332 8.378 25.853 26.093 1.00115.31 C ATOM 81 NZ LYS 332 9.548 26.755 26.039 1.00115.31 N ATOM 82 C LYS 332 4.875 21.761 28.224 1.00115.31 C ATOM 83 O LYS 332 4.876 21.193 29.315 1.00115.31 O ATOM 84 N SER 333 4.837 21.090 27.055 1.00 96.58 N ATOM 85 CA SER 333 4.701 19.666 27.084 1.00 96.58 C ATOM 86 CB SER 333 3.552 19.122 26.218 1.00 96.58 C ATOM 87 OG SER 333 2.302 19.541 26.746 1.00 96.58 O ATOM 88 C SER 333 5.961 19.020 26.618 1.00 96.58 C ATOM 89 O SER 333 6.731 19.586 25.844 1.00 96.58 O ATOM 90 N LEU 334 6.203 17.798 27.136 1.00 92.92 N ATOM 91 CA LEU 334 7.365 17.045 26.776 1.00 92.92 C ATOM 92 CB LEU 334 8.451 16.992 27.862 1.00 92.92 C ATOM 93 CG LEU 334 9.159 18.348 28.063 1.00 92.92 C ATOM 94 CD1 LEU 334 9.942 18.759 26.805 1.00 92.92 C ATOM 95 CD2 LEU 334 8.182 19.436 28.538 1.00 92.92 C ATOM 96 C LEU 334 6.953 15.653 26.437 1.00 92.92 C ATOM 97 O LEU 334 5.888 15.175 26.825 1.00 92.92 O ATOM 98 N THR 335 7.812 14.991 25.641 1.00101.98 N ATOM 99 CA THR 335 7.613 13.653 25.176 1.00101.98 C ATOM 100 CB THR 335 8.651 13.243 24.165 1.00101.98 C ATOM 101 OG1 THR 335 8.326 11.979 23.606 1.00101.98 O ATOM 102 CG2 THR 335 10.030 13.195 24.847 1.00101.98 C ATOM 103 C THR 335 7.680 12.685 26.320 1.00101.98 C ATOM 104 O THR 335 6.898 11.735 26.370 1.00101.98 O ATOM 105 N CYS 336 8.615 12.884 27.273 1.00 31.65 N ATOM 106 CA CYS 336 8.748 11.912 28.324 1.00 31.65 C ATOM 107 CB CYS 336 10.151 11.286 28.396 1.00 31.65 C ATOM 108 SG CYS 336 10.526 10.299 26.915 1.00 31.65 S ATOM 109 C CYS 336 8.451 12.531 29.656 1.00 31.65 C ATOM 110 O CYS 336 8.637 13.729 29.866 1.00 31.65 O ATOM 111 N LYS 337 7.967 11.693 30.597 1.00114.34 N ATOM 112 CA LYS 337 7.574 12.104 31.914 1.00114.34 C ATOM 113 CB LYS 337 6.917 10.976 32.728 1.00114.34 C ATOM 114 CG LYS 337 7.873 9.869 33.173 1.00114.34 C ATOM 115 CD LYS 337 7.228 8.926 34.192 1.00114.34 C ATOM 116 CE LYS 337 6.554 9.668 35.350 1.00114.34 C ATOM 117 NZ LYS 337 5.857 8.708 36.233 1.00114.34 N ATOM 118 C LYS 337 8.763 12.578 32.686 1.00114.34 C ATOM 119 O LYS 337 8.666 13.534 33.454 1.00114.34 O ATOM 120 N ASP 338 9.924 11.921 32.522 1.00 41.83 N ATOM 121 CA ASP 338 11.060 12.338 33.289 1.00 41.83 C ATOM 122 CB ASP 338 12.305 11.439 33.148 1.00 41.83 C ATOM 123 CG ASP 338 12.832 11.499 31.723 1.00 41.83 C ATOM 124 OD1 ASP 338 12.131 11.001 30.803 1.00 41.83 O ATOM 125 OD2 ASP 338 13.951 12.049 31.535 1.00 41.83 O ATOM 126 C ASP 338 11.437 13.716 32.861 1.00 41.83 C ATOM 127 O ASP 338 11.912 14.510 33.672 1.00 41.83 O ATOM 128 N SER 339 11.246 14.030 31.566 1.00 29.44 N ATOM 129 CA SER 339 11.608 15.319 31.052 1.00 29.44 C ATOM 130 CB SER 339 11.248 15.485 29.568 1.00 29.44 C ATOM 131 OG SER 339 11.967 14.549 28.783 1.00 29.44 O ATOM 132 C SER 339 10.827 16.355 31.788 1.00 29.44 C ATOM 133 O SER 339 11.384 17.329 32.291 1.00 29.44 O ATOM 134 N ILE 340 9.503 16.154 31.883 1.00129.61 N ATOM 135 CA ILE 340 8.662 17.109 32.533 1.00129.61 C ATOM 136 CB ILE 340 7.192 16.816 32.356 1.00129.61 C ATOM 137 CG1 ILE 340 6.776 15.449 32.932 1.00129.61 C ATOM 138 CG2 ILE 340 6.890 16.960 30.857 1.00129.61 C ATOM 139 CD1 ILE 340 6.623 15.396 34.451 1.00129.61 C ATOM 140 C ILE 340 9.028 17.202 33.982 1.00129.61 C ATOM 141 O ILE 340 9.051 18.296 34.545 1.00129.61 O ATOM 142 N LYS 341 9.351 16.067 34.627 1.00 52.14 N ATOM 143 CA LYS 341 9.652 16.088 36.030 1.00 52.14 C ATOM 144 CB LYS 341 10.009 14.692 36.576 1.00 52.14 C ATOM 145 CG LYS 341 10.390 14.671 38.059 1.00 52.14 C ATOM 146 CD LYS 341 10.392 13.262 38.661 1.00 52.14 C ATOM 147 CE LYS 341 10.996 13.171 40.065 1.00 52.14 C ATOM 148 NZ LYS 341 12.474 13.129 39.974 1.00 52.14 N ATOM 149 C LYS 341 10.825 16.982 36.262 1.00 52.14 C ATOM 150 O LYS 341 10.814 17.805 37.177 1.00 52.14 O ATOM 151 N GLN 342 11.870 16.859 35.427 1.00 67.66 N ATOM 152 CA GLN 342 13.037 17.667 35.629 1.00 67.66 C ATOM 153 CB GLN 342 14.181 17.313 34.662 1.00 67.66 C ATOM 154 CG GLN 342 14.762 15.916 34.895 1.00 67.66 C ATOM 155 CD GLN 342 15.874 15.682 33.881 1.00 67.66 C ATOM 156 OE1 GLN 342 16.005 16.414 32.900 1.00 67.66 O ATOM 157 NE2 GLN 342 16.697 14.626 34.119 1.00 67.66 N ATOM 158 C GLN 342 12.679 19.103 35.412 1.00 67.66 C ATOM 159 O GLN 342 13.090 19.975 36.177 1.00 67.66 O ATOM 160 N HIS 343 11.871 19.377 34.369 1.00 49.61 N ATOM 161 CA HIS 343 11.525 20.717 33.989 1.00 49.61 C ATOM 162 ND1 HIS 343 10.989 22.904 31.402 1.00 49.61 N ATOM 163 CG HIS 343 10.274 22.156 32.311 1.00 49.61 C ATOM 164 CB HIS 343 10.629 20.761 32.736 1.00 49.61 C ATOM 165 NE2 HIS 343 9.297 24.178 32.075 1.00 49.61 N ATOM 166 CD2 HIS 343 9.242 22.953 32.711 1.00 49.61 C ATOM 167 CE1 HIS 343 10.362 24.103 31.298 1.00 49.61 C ATOM 168 C HIS 343 10.773 21.414 35.077 1.00 49.61 C ATOM 169 O HIS 343 11.119 22.532 35.455 1.00 49.61 O ATOM 170 N MET 344 9.733 20.768 35.636 1.00 55.15 N ATOM 171 CA MET 344 8.930 21.457 36.603 1.00 55.15 C ATOM 172 CB MET 344 7.755 20.623 37.143 1.00 55.15 C ATOM 173 CG MET 344 6.829 21.413 38.071 1.00 55.15 C ATOM 174 SD MET 344 5.250 20.595 38.447 1.00 55.15 S ATOM 175 CE MET 344 5.986 19.245 39.412 1.00 55.15 C ATOM 176 C MET 344 9.791 21.892 37.778 1.00 55.15 C ATOM 177 O MET 344 9.385 22.874 38.456 1.00 55.15 O ATOM 178 OXT MET 344 10.857 21.262 38.011 1.00 55.15 O