EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:11:37 REMARK 6 MODELLER OBJECTIVE FUNCTION: 70.8914 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.368 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1148.18518 REMARK 6 GA341 score: 0.92732 REMARK 6 Normalized DOPE score: -0.15306 REMARK 6 TEMPLATE: 2i13A02 79:A - 97:A MODELS 1: - 19: AT 47.4% ATOM 1 N ALA 231 -6.749 29.388 51.590 1.00 22.65 N ATOM 2 CA ALA 231 -7.381 30.707 51.348 1.00 22.65 C ATOM 3 CB ALA 231 -7.102 31.188 49.917 1.00 22.65 C ATOM 4 C ALA 231 -8.859 30.646 51.533 1.00 22.65 C ATOM 5 O ALA 231 -9.456 29.573 51.488 1.00 22.65 O ATOM 6 N CYS 232 -9.481 31.818 51.774 1.00 37.47 N ATOM 7 CA CYS 232 -10.902 31.860 51.963 1.00 37.47 C ATOM 8 CB CYS 232 -11.403 33.171 52.590 1.00 37.47 C ATOM 9 SG CYS 232 -13.202 33.188 52.839 1.00 37.47 S ATOM 10 C CYS 232 -11.523 31.735 50.611 1.00 37.47 C ATOM 11 O CYS 232 -11.009 32.275 49.636 1.00 37.47 O ATOM 12 N THR 233 -12.644 30.995 50.516 1.00 42.32 N ATOM 13 CA THR 233 -13.255 30.792 49.236 1.00 42.32 C ATOM 14 CB THR 233 -14.424 29.848 49.299 1.00 42.32 C ATOM 15 OG1 THR 233 -14.013 28.586 49.807 1.00 42.32 O ATOM 16 CG2 THR 233 -15.006 29.681 47.885 1.00 42.32 C ATOM 17 C THR 233 -13.764 32.086 48.683 1.00 42.32 C ATOM 18 O THR 233 -13.418 32.466 47.565 1.00 42.32 O ATOM 19 N GLN 234 -14.620 32.797 49.447 1.00 91.45 N ATOM 20 CA GLN 234 -15.189 33.991 48.896 1.00 91.45 C ATOM 21 CB GLN 234 -16.443 34.473 49.652 1.00 91.45 C ATOM 22 CG GLN 234 -17.189 35.617 48.947 1.00 91.45 C ATOM 23 CD GLN 234 -16.697 36.947 49.512 1.00 91.45 C ATOM 24 OE1 GLN 234 -16.777 37.186 50.713 1.00 91.45 O ATOM 25 NE2 GLN 234 -16.179 37.840 48.623 1.00 91.45 N ATOM 26 C GLN 234 -14.206 35.116 48.837 1.00 91.45 C ATOM 27 O GLN 234 -14.061 35.758 47.799 1.00 91.45 O ATOM 28 N CYS 235 -13.502 35.381 49.956 1.00 91.63 N ATOM 29 CA CYS 235 -12.600 36.497 50.007 1.00 91.63 C ATOM 30 CB CYS 235 -11.974 36.688 51.393 1.00 91.63 C ATOM 31 SG CYS 235 -13.181 37.122 52.665 1.00 91.63 S ATOM 32 C CYS 235 -11.450 36.270 49.091 1.00 91.63 C ATOM 33 O CYS 235 -11.104 37.128 48.279 1.00 91.63 O ATOM 34 N GLY 236 -10.840 35.077 49.194 1.00 22.72 N ATOM 35 CA GLY 236 -9.680 34.796 48.411 1.00 22.72 C ATOM 36 C GLY 236 -8.488 35.196 49.224 1.00 22.72 C ATOM 37 O GLY 236 -7.353 35.075 48.770 1.00 22.72 O ATOM 38 N LYS 237 -8.725 35.679 50.461 1.00106.98 N ATOM 39 CA LYS 237 -7.647 36.104 51.306 1.00106.98 C ATOM 40 CB LYS 237 -8.111 36.870 52.559 1.00106.98 C ATOM 41 CG LYS 237 -6.960 37.454 53.382 1.00106.98 C ATOM 42 CD LYS 237 -7.415 38.418 54.479 1.00106.98 C ATOM 43 CE LYS 237 -8.150 39.645 53.945 1.00106.98 C ATOM 44 NZ LYS 237 -9.590 39.341 53.777 1.00106.98 N ATOM 45 C LYS 237 -6.907 34.891 51.774 1.00106.98 C ATOM 46 O LYS 237 -7.492 33.825 51.965 1.00106.98 O ATOM 47 N SER 238 -5.580 35.037 51.968 1.00 48.77 N ATOM 48 CA SER 238 -4.779 33.933 52.405 1.00 48.77 C ATOM 49 CB SER 238 -3.532 33.693 51.536 1.00 48.77 C ATOM 50 OG SER 238 -3.921 33.275 50.237 1.00 48.77 O ATOM 51 C SER 238 -4.325 34.220 53.799 1.00 48.77 C ATOM 52 O SER 238 -4.209 35.375 54.211 1.00 48.77 O ATOM 53 N PHE 239 -4.082 33.149 54.575 1.00140.76 N ATOM 54 CA PHE 239 -3.686 33.291 55.944 1.00140.76 C ATOM 55 CB PHE 239 -4.727 32.710 56.913 1.00140.76 C ATOM 56 CG PHE 239 -5.952 33.536 56.742 1.00140.76 C ATOM 57 CD1 PHE 239 -6.829 33.280 55.713 1.00140.76 C ATOM 58 CD2 PHE 239 -6.210 34.587 57.588 1.00140.76 C ATOM 59 CE1 PHE 239 -7.962 34.037 55.535 1.00140.76 C ATOM 60 CE2 PHE 239 -7.340 35.348 57.421 1.00140.76 C ATOM 61 CZ PHE 239 -8.215 35.076 56.395 1.00140.76 C ATOM 62 C PHE 239 -2.435 32.507 56.130 1.00140.76 C ATOM 63 O PHE 239 -2.177 31.542 55.410 1.00140.76 O ATOM 64 N ARG 240 -1.600 32.940 57.089 1.00 90.07 N ATOM 65 CA ARG 240 -0.380 32.244 57.361 1.00 90.07 C ATOM 66 CB ARG 240 0.548 33.005 58.326 1.00 90.07 C ATOM 67 CG ARG 240 2.015 32.568 58.254 1.00 90.07 C ATOM 68 CD ARG 240 2.403 31.411 59.177 1.00 90.07 C ATOM 69 NE ARG 240 3.881 31.241 59.068 1.00 90.07 N ATOM 70 CZ ARG 240 4.418 30.361 58.175 1.00 90.07 C ATOM 71 NH1 ARG 240 3.594 29.601 57.394 1.00 90.07 N ATOM 72 NH2 ARG 240 5.776 30.248 58.074 1.00 90.07 N ATOM 73 C ARG 240 -0.715 30.914 57.967 1.00 90.07 C ATOM 74 O ARG 240 -0.066 29.913 57.664 1.00 90.07 O ATOM 75 N GLN 241 -1.750 30.867 58.836 1.00 41.28 N ATOM 76 CA GLN 241 -2.059 29.643 59.523 1.00 41.28 C ATOM 77 CB GLN 241 -2.006 29.804 61.052 1.00 41.28 C ATOM 78 CG GLN 241 -0.615 30.239 61.526 1.00 41.28 C ATOM 79 CD GLN 241 -0.660 30.512 63.023 1.00 41.28 C ATOM 80 OE1 GLN 241 -1.576 30.083 63.723 1.00 41.28 O ATOM 81 NE2 GLN 241 0.361 31.251 63.532 1.00 41.28 N ATOM 82 C GLN 241 -3.426 29.168 59.133 1.00 41.28 C ATOM 83 O GLN 241 -4.363 29.950 58.983 1.00 41.28 O ATOM 84 N LEU 242 -3.550 27.836 58.960 1.00131.07 N ATOM 85 CA LEU 242 -4.762 27.200 58.531 1.00131.07 C ATOM 86 CB LEU 242 -4.564 25.704 58.227 1.00131.07 C ATOM 87 CG LEU 242 -3.685 25.456 56.980 1.00131.07 C ATOM 88 CD1 LEU 242 -2.266 26.029 57.150 1.00131.07 C ATOM 89 CD2 LEU 242 -3.695 23.972 56.575 1.00131.07 C ATOM 90 C LEU 242 -5.829 27.360 59.568 1.00131.07 C ATOM 91 O LEU 242 -6.994 27.579 59.239 1.00131.07 O ATOM 92 N THR 243 -5.456 27.269 60.854 1.00 93.92 N ATOM 93 CA THR 243 -6.439 27.341 61.894 1.00 93.92 C ATOM 94 CB THR 243 -5.827 27.231 63.257 1.00 93.92 C ATOM 95 OG1 THR 243 -4.918 28.301 63.474 1.00 93.92 O ATOM 96 CG2 THR 243 -5.080 25.890 63.344 1.00 93.92 C ATOM 97 C THR 243 -7.138 28.660 61.813 1.00 93.92 C ATOM 98 O THR 243 -8.363 28.721 61.921 1.00 93.92 O ATOM 99 N LYS 244 -6.376 29.753 61.617 1.00150.16 N ATOM 100 CA LYS 244 -6.967 31.061 61.577 1.00150.16 C ATOM 101 CB LYS 244 -5.950 32.217 61.544 1.00150.16 C ATOM 102 CG LYS 244 -6.623 33.596 61.539 1.00150.16 C ATOM 103 CD LYS 244 -7.419 33.919 62.813 1.00150.16 C ATOM 104 CE LYS 244 -6.808 35.021 63.686 1.00150.16 C ATOM 105 NZ LYS 244 -5.557 34.538 64.311 1.00150.16 N ATOM 106 C LYS 244 -7.862 31.177 60.385 1.00150.16 C ATOM 107 O LYS 244 -8.889 31.850 60.439 1.00150.16 O ATOM 108 N LEU 245 -7.494 30.534 59.263 1.00104.83 N ATOM 109 CA LEU 245 -8.303 30.630 58.082 1.00104.83 C ATOM 110 CB LEU 245 -7.698 29.823 56.912 1.00104.83 C ATOM 111 CG LEU 245 -8.294 30.079 55.509 1.00104.83 C ATOM 112 CD1 LEU 245 -7.713 29.081 54.496 1.00104.83 C ATOM 113 CD2 LEU 245 -9.827 30.118 55.492 1.00104.83 C ATOM 114 C LEU 245 -9.629 30.025 58.426 1.00104.83 C ATOM 115 O LEU 245 -10.685 30.548 58.061 1.00104.83 O ATOM 116 N ASN 246 -9.606 28.914 59.182 1.00 67.13 N ATOM 117 CA ASN 246 -10.811 28.201 59.474 1.00 67.13 C ATOM 118 CB ASN 246 -10.560 26.967 60.362 1.00 67.13 C ATOM 119 CG ASN 246 -11.743 26.022 60.208 1.00 67.13 C ATOM 120 OD1 ASN 246 -12.619 26.242 59.382 1.00 67.13 O ATOM 121 ND2 ASN 246 -11.760 24.932 61.028 1.00 67.13 N ATOM 122 C ASN 246 -11.749 29.127 60.186 1.00 67.13 C ATOM 123 O ASN 246 -12.933 29.184 59.857 1.00 67.13 O ATOM 124 N ARG 247 -11.252 29.895 61.175 1.00110.00 N ATOM 125 CA ARG 247 -12.124 30.791 61.881 1.00110.00 C ATOM 126 CB ARG 247 -11.492 31.484 63.104 1.00110.00 C ATOM 127 CG ARG 247 -11.186 30.505 64.240 1.00110.00 C ATOM 128 CD ARG 247 -11.303 31.101 65.645 1.00110.00 C ATOM 129 NE ARG 247 -10.332 32.224 65.759 1.00110.00 N ATOM 130 CZ ARG 247 -10.732 33.389 66.348 1.00110.00 C ATOM 131 NH1 ARG 247 -12.026 33.519 66.760 1.00110.00 N ATOM 132 NH2 ARG 247 -9.850 34.415 66.520 1.00110.00 N ATOM 133 C ARG 247 -12.591 31.861 60.948 1.00110.00 C ATOM 134 O ARG 247 -13.746 32.285 61.006 1.00110.00 O ATOM 135 N HIS 248 -11.704 32.315 60.042 1.00 43.89 N ATOM 136 CA HIS 248 -12.054 33.384 59.151 1.00 43.89 C ATOM 137 ND1 HIS 248 -11.101 36.116 57.330 1.00 43.89 N ATOM 138 CG HIS 248 -11.337 34.771 57.136 1.00 43.89 C ATOM 139 CB HIS 248 -10.966 33.683 58.104 1.00 43.89 C ATOM 140 NE2 HIS 248 -12.058 35.924 55.332 1.00 43.89 N ATOM 141 CD2 HIS 248 -11.925 34.675 55.911 1.00 43.89 C ATOM 142 CE1 HIS 248 -11.551 36.759 56.222 1.00 43.89 C ATOM 143 C HIS 248 -13.258 32.964 58.393 1.00 43.89 C ATOM 144 O HIS 248 -14.211 33.731 58.266 1.00 43.89 O ATOM 145 N MET 249 -13.243 31.716 57.886 1.00 48.35 N ATOM 146 CA MET 249 -14.345 31.198 57.132 1.00 48.35 C ATOM 147 CB MET 249 -14.210 29.699 56.814 1.00 48.35 C ATOM 148 CG MET 249 -13.073 29.401 55.832 1.00 48.35 C ATOM 149 SD MET 249 -12.845 27.643 55.433 1.00 48.35 S ATOM 150 CE MET 249 -14.429 27.495 54.559 1.00 48.35 C ATOM 151 C MET 249 -15.631 31.406 57.921 1.00 48.35 C ATOM 152 O MET 249 -15.662 31.053 59.132 1.00 48.35 O ATOM 153 OXT MET 249 -16.602 31.928 57.314 1.00 48.35 O