EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:15:12 REMARK 6 MODELLER OBJECTIVE FUNCTION: 88.9322 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.381 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1056.03638 REMARK 6 GA341 score: 0.70461 REMARK 6 Normalized DOPE score: -1.31918 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 52.4% ATOM 1 N GLU 231 -0.464 13.500 56.778 1.00 30.79 N ATOM 2 CA GLU 231 -1.166 13.469 58.082 1.00 30.79 C ATOM 3 CB GLU 231 -0.191 13.147 59.230 1.00 30.79 C ATOM 4 CG GLU 231 -0.860 13.128 60.607 1.00 30.79 C ATOM 5 CD GLU 231 0.158 12.672 61.644 1.00 30.79 C ATOM 6 OE1 GLU 231 1.309 13.180 61.604 1.00 30.79 O ATOM 7 OE2 GLU 231 -0.202 11.804 62.484 1.00 30.79 O ATOM 8 C GLU 231 -1.827 14.764 58.399 1.00 30.79 C ATOM 9 O GLU 231 -1.241 15.835 58.238 1.00 30.79 O ATOM 10 N LYS 232 -3.098 14.693 58.835 1.00110.51 N ATOM 11 CA LYS 232 -3.767 15.894 59.229 1.00110.51 C ATOM 12 CB LYS 232 -4.924 16.266 58.289 1.00110.51 C ATOM 13 CG LYS 232 -4.443 16.570 56.867 1.00110.51 C ATOM 14 CD LYS 232 -3.889 15.334 56.152 1.00110.51 C ATOM 15 CE LYS 232 -3.374 15.594 54.735 1.00110.51 C ATOM 16 NZ LYS 232 -2.010 16.172 54.789 1.00110.51 N ATOM 17 C LYS 232 -4.323 15.637 60.593 1.00110.51 C ATOM 18 O LYS 232 -5.411 15.093 60.760 1.00110.51 O ATOM 19 N PRO 233 -3.553 16.004 61.578 1.00110.81 N ATOM 20 CA PRO 233 -3.988 15.800 62.930 1.00110.81 C ATOM 21 CD PRO 233 -2.114 15.822 61.458 1.00110.81 C ATOM 22 CB PRO 233 -2.733 15.857 63.798 1.00110.81 C ATOM 23 CG PRO 233 -1.620 15.389 62.849 1.00110.81 C ATOM 24 C PRO 233 -5.071 16.706 63.415 1.00110.81 C ATOM 25 O PRO 233 -5.681 16.379 64.431 1.00110.81 O ATOM 26 N PHE 234 -5.347 17.847 62.755 1.00124.33 N ATOM 27 CA PHE 234 -6.314 18.711 63.369 1.00124.33 C ATOM 28 CB PHE 234 -5.908 20.191 63.296 1.00124.33 C ATOM 29 CG PHE 234 -4.671 20.222 64.128 1.00124.33 C ATOM 30 CD1 PHE 234 -3.452 19.941 63.555 1.00124.33 C ATOM 31 CD2 PHE 234 -4.718 20.491 65.475 1.00124.33 C ATOM 32 CE1 PHE 234 -2.298 19.947 64.301 1.00124.33 C ATOM 33 CE2 PHE 234 -3.567 20.500 66.232 1.00124.33 C ATOM 34 CZ PHE 234 -2.354 20.228 65.646 1.00124.33 C ATOM 35 C PHE 234 -7.654 18.477 62.750 1.00124.33 C ATOM 36 O PHE 234 -7.800 18.493 61.530 1.00124.33 O ATOM 37 N THR 235 -8.670 18.246 63.611 1.00 41.31 N ATOM 38 CA THR 235 -9.996 17.908 63.168 1.00 41.31 C ATOM 39 CB THR 235 -10.542 16.663 63.818 1.00 41.31 C ATOM 40 OG1 THR 235 -9.727 15.532 63.543 1.00 41.31 O ATOM 41 CG2 THR 235 -11.977 16.438 63.314 1.00 41.31 C ATOM 42 C THR 235 -10.963 18.986 63.564 1.00 41.31 C ATOM 43 O THR 235 -10.886 19.547 64.659 1.00 41.31 O ATOM 44 N CYS 236 -11.907 19.308 62.652 1.00 46.04 N ATOM 45 CA CYS 236 -12.970 20.227 62.954 1.00 46.04 C ATOM 46 CB CYS 236 -13.703 20.733 61.694 1.00 46.04 C ATOM 47 SG CYS 236 -15.103 21.840 62.059 1.00 46.04 S ATOM 48 C CYS 236 -13.955 19.459 63.781 1.00 46.04 C ATOM 49 O CYS 236 -14.393 18.378 63.394 1.00 46.04 O ATOM 50 N THR 237 -14.347 20.002 64.946 1.00108.08 N ATOM 51 CA THR 237 -15.214 19.251 65.805 1.00108.08 C ATOM 52 CB THR 237 -15.458 19.918 67.128 1.00108.08 C ATOM 53 OG1 THR 237 -16.222 19.068 67.969 1.00108.08 O ATOM 54 CG2 THR 237 -16.187 21.254 66.909 1.00108.08 C ATOM 55 C THR 237 -16.539 19.026 65.148 1.00108.08 C ATOM 56 O THR 237 -17.078 17.921 65.206 1.00108.08 O ATOM 57 N GLN 238 -17.130 20.076 64.544 1.00108.74 N ATOM 58 CA GLN 238 -18.435 19.901 63.980 1.00108.74 C ATOM 59 CB GLN 238 -19.164 21.221 63.691 1.00108.74 C ATOM 60 CG GLN 238 -20.543 20.980 63.072 1.00108.74 C ATOM 61 CD GLN 238 -21.400 20.254 64.095 1.00108.74 C ATOM 62 OE1 GLN 238 -21.869 20.852 65.063 1.00108.74 O ATOM 63 NE2 GLN 238 -21.607 18.927 63.889 1.00108.74 N ATOM 64 C GLN 238 -18.444 19.124 62.698 1.00108.74 C ATOM 65 O GLN 238 -19.192 18.157 62.556 1.00108.74 O ATOM 66 N CYS 239 -17.625 19.562 61.719 1.00 88.40 N ATOM 67 CA CYS 239 -17.591 19.001 60.393 1.00 88.40 C ATOM 68 CB CYS 239 -16.791 19.878 59.418 1.00 88.40 C ATOM 69 SG CYS 239 -16.743 19.183 57.742 1.00 88.40 S ATOM 70 C CYS 239 -16.959 17.644 60.382 1.00 88.40 C ATOM 71 O CYS 239 -17.477 16.713 59.769 1.00 88.40 O ATOM 72 N GLY 240 -15.816 17.494 61.079 1.00 23.46 N ATOM 73 CA GLY 240 -15.122 16.238 61.072 1.00 23.46 C ATOM 74 C GLY 240 -14.075 16.283 60.001 1.00 23.46 C ATOM 75 O GLY 240 -13.404 15.287 59.742 1.00 23.46 O ATOM 76 N LYS 241 -13.919 17.447 59.342 1.00 51.67 N ATOM 77 CA LYS 241 -12.933 17.623 58.312 1.00 51.67 C ATOM 78 CB LYS 241 -13.176 18.920 57.522 1.00 51.67 C ATOM 79 CG LYS 241 -12.435 19.031 56.192 1.00 51.67 C ATOM 80 CD LYS 241 -13.000 20.160 55.321 1.00 51.67 C ATOM 81 CE LYS 241 -12.419 20.218 53.906 1.00 51.67 C ATOM 82 NZ LYS 241 -13.175 21.189 53.084 1.00 51.67 N ATOM 83 C LYS 241 -11.595 17.710 58.990 1.00 51.67 C ATOM 84 O LYS 241 -11.485 18.297 60.068 1.00 51.67 O ATOM 85 N ASN 242 -10.542 17.123 58.373 1.00 50.09 N ATOM 86 CA ASN 242 -9.232 17.089 58.977 1.00 50.09 C ATOM 87 CB ASN 242 -8.624 15.676 58.996 1.00 50.09 C ATOM 88 CG ASN 242 -9.585 14.778 59.766 1.00 50.09 C ATOM 89 OD1 ASN 242 -9.929 15.047 60.918 1.00 50.09 O ATOM 90 ND2 ASN 242 -10.053 13.689 59.102 1.00 50.09 N ATOM 91 C ASN 242 -8.312 17.961 58.174 1.00 50.09 C ATOM 92 O ASN 242 -8.440 18.040 56.953 1.00 50.09 O ATOM 93 N PHE 243 -7.357 18.642 58.854 1.00 60.91 N ATOM 94 CA PHE 243 -6.484 19.558 58.170 1.00 60.91 C ATOM 95 CB PHE 243 -6.787 21.032 58.496 1.00 60.91 C ATOM 96 CG PHE 243 -8.180 21.327 58.065 1.00 60.91 C ATOM 97 CD1 PHE 243 -8.455 21.672 56.761 1.00 60.91 C ATOM 98 CD2 PHE 243 -9.212 21.248 58.972 1.00 60.91 C ATOM 99 CE1 PHE 243 -9.746 21.945 56.376 1.00 60.91 C ATOM 100 CE2 PHE 243 -10.506 21.519 58.594 1.00 60.91 C ATOM 101 CZ PHE 243 -10.772 21.867 57.291 1.00 60.91 C ATOM 102 C PHE 243 -5.060 19.316 58.571 1.00 60.91 C ATOM 103 O PHE 243 -4.761 18.911 59.698 1.00 60.91 O ATOM 104 N ASN 244 -4.149 19.555 57.612 1.00116.47 N ATOM 105 CA ASN 244 -2.733 19.415 57.769 1.00116.47 C ATOM 106 CB ASN 244 -1.996 19.575 56.424 1.00116.47 C ATOM 107 CG ASN 244 -0.585 19.006 56.525 1.00116.47 C ATOM 108 OD1 ASN 244 0.104 18.854 55.516 1.00116.47 O ATOM 109 ND2 ASN 244 -0.139 18.671 57.763 1.00116.47 N ATOM 110 C ASN 244 -2.252 20.494 58.687 1.00116.47 C ATOM 111 O ASN 244 -1.358 20.275 59.504 1.00116.47 O ATOM 112 N GLN 245 -2.841 21.700 58.584 1.00 98.61 N ATOM 113 CA GLN 245 -2.292 22.767 59.369 1.00 98.61 C ATOM 114 CB GLN 245 -1.636 23.841 58.490 1.00 98.61 C ATOM 115 CG GLN 245 -0.926 24.942 59.269 1.00 98.61 C ATOM 116 CD GLN 245 -0.330 25.905 58.251 1.00 98.61 C ATOM 117 OE1 GLN 245 -0.547 27.111 58.329 1.00 98.61 O ATOM 118 NE2 GLN 245 0.439 25.363 57.267 1.00 98.61 N ATOM 119 C GLN 245 -3.359 23.404 60.203 1.00 98.61 C ATOM 120 O GLN 245 -4.537 23.395 59.849 1.00 98.61 O ATOM 121 N SER 246 -2.945 23.975 61.352 1.00 38.33 N ATOM 122 CA SER 246 -3.820 24.589 62.311 1.00 38.33 C ATOM 123 CB SER 246 -3.055 25.104 63.541 1.00 38.33 C ATOM 124 OG SER 246 -2.410 24.025 64.198 1.00 38.33 O ATOM 125 C SER 246 -4.514 25.776 61.710 1.00 38.33 C ATOM 126 O SER 246 -5.721 25.943 61.881 1.00 38.33 O ATOM 127 N SER 247 -3.767 26.630 60.983 1.00 72.49 N ATOM 128 CA SER 247 -4.332 27.839 60.448 1.00 72.49 C ATOM 129 CB SER 247 -3.312 28.724 59.712 1.00 72.49 C ATOM 130 OG SER 247 -2.369 29.257 60.630 1.00 72.49 O ATOM 131 C SER 247 -5.400 27.502 59.459 1.00 72.49 C ATOM 132 O SER 247 -6.424 28.180 59.390 1.00 72.49 O ATOM 133 N ASN 248 -5.188 26.440 58.659 1.00 47.65 N ATOM 134 CA ASN 248 -6.160 26.080 57.666 1.00 47.65 C ATOM 135 CB ASN 248 -5.743 24.858 56.818 1.00 47.65 C ATOM 136 CG ASN 248 -4.553 25.200 55.923 1.00 47.65 C ATOM 137 OD1 ASN 248 -3.435 24.746 56.158 1.00 47.65 O ATOM 138 ND2 ASN 248 -4.790 26.004 54.853 1.00 47.65 N ATOM 139 C ASN 248 -7.419 25.714 58.389 1.00 47.65 C ATOM 140 O ASN 248 -8.516 26.091 57.975 1.00 47.65 O ATOM 141 N LEU 249 -7.283 24.981 59.511 1.00 97.96 N ATOM 142 CA LEU 249 -8.402 24.541 60.295 1.00 97.96 C ATOM 143 CB LEU 249 -7.932 23.715 61.517 1.00 97.96 C ATOM 144 CG LEU 249 -9.015 22.954 62.323 1.00 97.96 C ATOM 145 CD1 LEU 249 -8.387 22.242 63.538 1.00 97.96 C ATOM 146 CD2 LEU 249 -10.222 23.829 62.703 1.00 97.96 C ATOM 147 C LEU 249 -9.086 25.769 60.809 1.00 97.96 C ATOM 148 O LEU 249 -10.307 25.892 60.743 1.00 97.96 O ATOM 149 N ASN 250 -8.294 26.731 61.316 1.00 76.36 N ATOM 150 CA ASN 250 -8.853 27.899 61.934 1.00 76.36 C ATOM 151 CB ASN 250 -7.776 28.827 62.526 1.00 76.36 C ATOM 152 CG ASN 250 -8.472 29.961 63.270 1.00 76.36 C ATOM 153 OD1 ASN 250 -9.666 29.898 63.548 1.00 76.36 O ATOM 154 ND2 ASN 250 -7.706 31.039 63.595 1.00 76.36 N ATOM 155 C ASN 250 -9.647 28.699 60.947 1.00 76.36 C ATOM 156 O ASN 250 -10.793 29.056 61.217 1.00 76.36 O ATOM 157 N ARG 251 -9.076 28.973 59.758 1.00 98.24 N ATOM 158 CA ARG 251 -9.783 29.824 58.847 1.00 98.24 C ATOM 159 CB ARG 251 -9.012 31.122 58.544 1.00 98.24 C ATOM 160 CG ARG 251 -7.646 30.880 57.900 1.00 98.24 C ATOM 161 CD ARG 251 -6.726 32.102 57.900 1.00 98.24 C ATOM 162 NE ARG 251 -5.693 31.880 58.953 1.00 98.24 N ATOM 163 CZ ARG 251 -5.732 32.574 60.125 1.00 98.24 C ATOM 164 NH1 ARG 251 -6.700 33.514 60.331 1.00 98.24 N ATOM 165 NH2 ARG 251 -4.769 32.358 61.072 1.00 98.24 N ATOM 166 C ARG 251 -10.021 29.087 57.534 1.00 98.24 C ATOM 167 O ARG 251 -10.624 27.985 57.584 1.00 98.24 O ATOM 168 OXT ARG 251 -9.616 29.622 56.462 1.00 98.24 O