EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:45 REMARK 6 MODELLER OBJECTIVE FUNCTION: 76.4753 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 25.926 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1922.50720 REMARK 6 GA341 score: 0.74556 REMARK 6 Normalized DOPE score: -0.54294 REMARK 6 TEMPLATE: 1llmC01 101:C - 127:C MODELS 1: - 27: AT 25.9% ATOM 1 N ASP 243 -12.776 35.573 66.932 1.00 73.12 N ATOM 2 CA ASP 243 -13.038 36.353 65.702 1.00 73.12 C ATOM 3 CB ASP 243 -13.396 37.816 66.042 1.00 73.12 C ATOM 4 CG ASP 243 -12.209 38.516 66.698 1.00 73.12 C ATOM 5 OD1 ASP 243 -11.508 37.880 67.527 1.00 73.12 O ATOM 6 OD2 ASP 243 -11.995 39.714 66.372 1.00 73.12 O ATOM 7 C ASP 243 -11.860 36.334 64.785 1.00 73.12 C ATOM 8 O ASP 243 -11.210 35.303 64.614 1.00 73.12 O ATOM 9 N LYS 244 -11.562 37.483 64.152 1.00 68.49 N ATOM 10 CA LYS 244 -10.453 37.517 63.248 1.00 68.49 C ATOM 11 CB LYS 244 -10.685 38.466 62.061 1.00 68.49 C ATOM 12 CG LYS 244 -11.855 38.025 61.180 1.00 68.49 C ATOM 13 CD LYS 244 -12.350 39.108 60.217 1.00 68.49 C ATOM 14 CE LYS 244 -13.552 38.666 59.378 1.00 68.49 C ATOM 15 NZ LYS 244 -13.182 37.547 58.482 1.00 68.49 N ATOM 16 C LYS 244 -9.270 38.006 64.019 1.00 68.49 C ATOM 17 O LYS 244 -9.082 39.205 64.213 1.00 68.49 O ATOM 18 N TYR 245 -8.444 37.047 64.472 1.00 55.30 N ATOM 19 CA TYR 245 -7.281 37.274 65.277 1.00 55.30 C ATOM 20 CB TYR 245 -6.651 35.967 65.792 1.00 55.30 C ATOM 21 CG TYR 245 -7.582 35.342 66.774 1.00 55.30 C ATOM 22 CD1 TYR 245 -8.621 34.538 66.361 1.00 55.30 C ATOM 23 CD2 TYR 245 -7.403 35.557 68.121 1.00 55.30 C ATOM 24 CE1 TYR 245 -9.469 33.965 67.280 1.00 55.30 C ATOM 25 CE2 TYR 245 -8.247 34.988 69.042 1.00 55.30 C ATOM 26 CZ TYR 245 -9.282 34.190 68.623 1.00 55.30 C ATOM 27 OH TYR 245 -10.148 33.605 69.570 1.00 55.30 O ATOM 28 C TYR 245 -6.206 37.993 64.520 1.00 55.30 C ATOM 29 O TYR 245 -5.568 38.896 65.060 1.00 55.30 O ATOM 30 N PHE 246 -5.969 37.625 63.246 1.00 67.16 N ATOM 31 CA PHE 246 -4.822 38.177 62.581 1.00 67.16 C ATOM 32 CB PHE 246 -4.117 37.167 61.665 1.00 67.16 C ATOM 33 CG PHE 246 -3.603 36.119 62.589 1.00 67.16 C ATOM 34 CD1 PHE 246 -4.422 35.097 63.013 1.00 67.16 C ATOM 35 CD2 PHE 246 -2.306 36.167 63.041 1.00 67.16 C ATOM 36 CE1 PHE 246 -3.951 34.131 63.870 1.00 67.16 C ATOM 37 CE2 PHE 246 -1.830 35.204 63.899 1.00 67.16 C ATOM 38 CZ PHE 246 -2.652 34.185 64.316 1.00 67.16 C ATOM 39 C PHE 246 -5.188 39.384 61.785 1.00 67.16 C ATOM 40 O PHE 246 -6.147 39.378 61.016 1.00 67.16 O ATOM 41 N ILE 247 -4.381 40.452 61.956 1.00 89.35 N ATOM 42 CA ILE 247 -4.616 41.711 61.313 1.00 89.35 C ATOM 43 CB ILE 247 -4.662 42.867 62.271 0.50 89.35 C ATOM 44 CG1 ILE 247 -5.808 42.714 63.284 1.00 89.35 C ATOM 45 CG2 ILE 247 -4.771 44.151 61.432 1.00 89.35 C ATOM 46 CD1 ILE 247 -7.191 42.758 62.646 1.00 89.35 C ATOM 47 C ILE 247 -3.467 42.002 60.399 1.00 89.35 C ATOM 48 O ILE 247 -2.310 41.739 60.726 1.00 89.35 O ATOM 49 N CYS 248 -3.776 42.554 59.208 1.00 39.05 N ATOM 50 CA CYS 248 -2.749 42.934 58.282 1.00 39.05 C ATOM 51 CB CYS 248 -3.212 42.954 56.815 1.00 39.05 C ATOM 52 SG CYS 248 -1.891 43.436 55.661 1.00 39.05 S ATOM 53 C CYS 248 -2.344 44.316 58.657 1.00 39.05 C ATOM 54 O CYS 248 -3.179 45.197 58.855 1.00 39.05 O ATOM 55 N ASP 249 -1.024 44.531 58.781 1.00 45.29 N ATOM 56 CA ASP 249 -0.524 45.787 59.238 1.00 45.29 C ATOM 57 CB ASP 249 1.004 45.773 59.405 1.00 45.29 C ATOM 58 CG ASP 249 1.331 44.829 60.554 1.00 45.29 C ATOM 59 OD1 ASP 249 0.527 44.780 61.524 1.00 45.29 O ATOM 60 OD2 ASP 249 2.382 44.139 60.474 1.00 45.29 O ATOM 61 C ASP 249 -0.860 46.885 58.279 1.00 45.29 C ATOM 62 O ASP 249 -1.310 47.949 58.701 1.00 45.29 O ATOM 63 N GLN 250 -0.634 46.686 56.965 1.00116.81 N ATOM 64 CA GLN 250 -0.872 47.815 56.112 1.00116.81 C ATOM 65 CB GLN 250 -0.220 47.690 54.723 1.00116.81 C ATOM 66 CG GLN 250 -0.756 46.590 53.816 1.00116.81 C ATOM 67 CD GLN 250 0.060 46.701 52.537 1.00116.81 C ATOM 68 OE1 GLN 250 -0.442 47.140 51.501 1.00116.81 O ATOM 69 NE2 GLN 250 1.361 46.310 52.612 1.00116.81 N ATOM 70 C GLN 250 -2.329 48.140 55.951 1.00116.81 C ATOM 71 O GLN 250 -2.736 49.275 56.187 1.00116.81 O ATOM 72 N CYS 251 -3.158 47.157 55.543 1.00 50.15 N ATOM 73 CA CYS 251 -4.560 47.412 55.323 1.00 50.15 C ATOM 74 CB CYS 251 -5.258 46.320 54.492 1.00 50.15 C ATOM 75 SG CYS 251 -5.233 44.689 55.285 1.00 50.15 S ATOM 76 C CYS 251 -5.295 47.578 56.619 1.00 50.15 C ATOM 77 O CYS 251 -6.155 48.449 56.747 1.00 50.15 O ATOM 78 N GLY 252 -4.969 46.745 57.627 1.00 21.73 N ATOM 79 CA GLY 252 -5.635 46.836 58.895 1.00 21.73 C ATOM 80 C GLY 252 -6.802 45.892 58.908 1.00 21.73 C ATOM 81 O GLY 252 -7.578 45.871 59.862 1.00 21.73 O ATOM 82 N SER 253 -6.966 45.079 57.847 1.00 66.38 N ATOM 83 CA SER 253 -8.060 44.150 57.822 1.00 66.38 C ATOM 84 CB SER 253 -8.310 43.531 56.435 1.00 66.38 C ATOM 85 OG SER 253 -9.402 42.624 56.492 1.00 66.38 O ATOM 86 C SER 253 -7.747 43.022 58.756 1.00 66.38 C ATOM 87 O SER 253 -6.585 42.760 59.065 1.00 66.38 O ATOM 88 N SER 254 -8.800 42.324 59.232 1.00 74.45 N ATOM 89 CA SER 254 -8.607 41.221 60.133 1.00 74.45 C ATOM 90 CB SER 254 -9.446 41.313 61.418 1.00 74.45 C ATOM 91 OG SER 254 -10.832 41.270 61.108 1.00 74.45 O ATOM 92 C SER 254 -9.024 39.976 59.422 1.00 74.45 C ATOM 93 O SER 254 -9.878 40.008 58.538 1.00 74.45 O ATOM 94 N PHE 255 -8.405 38.836 59.784 1.00 48.38 N ATOM 95 CA PHE 255 -8.729 37.607 59.121 1.00 48.38 C ATOM 96 CB PHE 255 -7.615 37.118 58.179 1.00 48.38 C ATOM 97 CG PHE 255 -7.430 38.130 57.100 1.00 48.38 C ATOM 98 CD1 PHE 255 -6.617 39.225 57.296 1.00 48.38 C ATOM 99 CD2 PHE 255 -8.064 37.986 55.888 1.00 48.38 C ATOM 100 CE1 PHE 255 -6.443 40.160 56.302 1.00 48.38 C ATOM 101 CE2 PHE 255 -7.894 38.917 54.890 1.00 48.38 C ATOM 102 CZ PHE 255 -7.080 40.004 55.095 1.00 48.38 C ATOM 103 C PHE 255 -8.908 36.535 60.152 1.00 48.38 C ATOM 104 O PHE 255 -8.276 36.554 61.206 1.00 48.38 O ATOM 105 N LYS 256 -9.812 35.577 59.863 1.00 50.87 N ATOM 106 CA LYS 256 -10.056 34.452 60.720 1.00 50.87 C ATOM 107 CB LYS 256 -11.178 33.519 60.231 1.00 50.87 C ATOM 108 CG LYS 256 -12.611 33.986 60.477 1.00 50.87 C ATOM 109 CD LYS 256 -13.632 33.097 59.760 1.00 50.87 C ATOM 110 CE LYS 256 -15.082 33.330 60.182 1.00 50.87 C ATOM 111 NZ LYS 256 -15.972 32.388 59.467 1.00 50.87 N ATOM 112 C LYS 256 -8.848 33.572 60.737 1.00 50.87 C ATOM 113 O LYS 256 -8.498 33.008 61.773 1.00 50.87 O ATOM 114 N LEU 257 -8.191 33.418 59.570 1.00 49.23 N ATOM 115 CA LEU 257 -7.142 32.442 59.476 1.00 49.23 C ATOM 116 CB LEU 257 -7.319 31.487 58.285 1.00 49.23 C ATOM 117 CG LEU 257 -8.595 30.630 58.357 1.00 49.23 C ATOM 118 CD1 LEU 257 -8.709 29.700 57.139 1.00 49.23 C ATOM 119 CD2 LEU 257 -8.685 29.877 59.694 1.00 49.23 C ATOM 120 C LEU 257 -5.803 33.082 59.312 1.00 49.23 C ATOM 121 O LEU 257 -5.632 34.064 58.594 1.00 49.23 O ATOM 122 N LYS 258 -4.806 32.487 59.996 1.00 94.33 N ATOM 123 CA LYS 258 -3.428 32.887 59.985 1.00 94.33 C ATOM 124 CB LYS 258 -2.605 31.968 60.909 1.00 94.33 C ATOM 125 CG LYS 258 -1.105 32.254 61.013 1.00 94.33 C ATOM 126 CD LYS 258 -0.437 31.380 62.080 1.00 94.33 C ATOM 127 CE LYS 258 1.073 31.566 62.223 1.00 94.33 C ATOM 128 NZ LYS 258 1.373 32.396 63.409 1.00 94.33 N ATOM 129 C LYS 258 -2.898 32.730 58.594 1.00 94.33 C ATOM 130 O LYS 258 -2.191 33.598 58.083 1.00 94.33 O ATOM 131 N GLU 259 -3.245 31.610 57.934 1.00108.02 N ATOM 132 CA GLU 259 -2.751 31.349 56.613 1.00108.02 C ATOM 133 CB GLU 259 -3.173 29.979 56.065 1.00108.02 C ATOM 134 CG GLU 259 -2.705 29.762 54.627 1.00108.02 C ATOM 135 CD GLU 259 -1.184 29.739 54.624 1.00108.02 C ATOM 136 OE1 GLU 259 -0.598 29.452 55.702 1.00108.02 O ATOM 137 OE2 GLU 259 -0.588 30.012 53.547 1.00108.02 O ATOM 138 C GLU 259 -3.275 32.386 55.672 1.00108.02 C ATOM 139 O GLU 259 -2.554 32.853 54.791 1.00108.02 O ATOM 140 N ASN 260 -4.554 32.771 55.839 1.00 40.19 N ATOM 141 CA ASN 260 -5.154 33.745 54.976 1.00 40.19 C ATOM 142 CB ASN 260 -6.640 33.995 55.280 1.00 40.19 C ATOM 143 CG ASN 260 -7.433 32.823 54.724 1.00 40.19 C ATOM 144 OD1 ASN 260 -7.270 31.681 55.152 1.00 40.19 O ATOM 145 ND2 ASN 260 -8.320 33.115 53.737 1.00 40.19 N ATOM 146 C ASN 260 -4.427 35.037 55.150 1.00 40.19 C ATOM 147 O ASN 260 -4.251 35.790 54.194 1.00 40.19 O ATOM 148 N PHE 261 -3.987 35.328 56.385 1.00 38.35 N ATOM 149 CA PHE 261 -3.281 36.546 56.650 1.00 38.35 C ATOM 150 CB PHE 261 -2.847 36.643 58.120 0.50 38.35 C ATOM 151 CG PHE 261 -1.941 37.813 58.269 0.50 38.35 C ATOM 152 CD1 PHE 261 -2.443 39.078 58.469 0.50 38.35 C ATOM 153 CD2 PHE 261 -0.577 37.641 58.207 0.50 38.35 C ATOM 154 CE1 PHE 261 -1.594 40.152 58.608 1.00 38.35 C ATOM 155 CE2 PHE 261 0.274 38.711 58.345 1.00 38.35 C ATOM 156 CZ PHE 261 -0.233 39.971 58.546 1.00 38.35 C ATOM 157 C PHE 261 -2.039 36.562 55.821 1.00 38.35 C ATOM 158 O PHE 261 -1.724 37.560 55.175 1.00 38.35 O ATOM 159 N ASP 262 -1.299 35.440 55.806 1.00 75.73 N ATOM 160 CA ASP 262 -0.064 35.412 55.078 1.00 75.73 C ATOM 161 CB ASP 262 0.695 34.084 55.240 1.00 75.73 C ATOM 162 CG ASP 262 2.062 34.200 54.571 1.00 75.73 C ATOM 163 OD1 ASP 262 2.114 34.417 53.329 1.00 75.73 O ATOM 164 OD2 ASP 262 3.077 34.079 55.303 1.00 75.73 O ATOM 165 C ASP 262 -0.333 35.609 53.619 1.00 75.73 C ATOM 166 O ASP 262 0.370 36.367 52.952 1.00 75.73 O ATOM 167 N GLN 263 -1.370 34.940 53.085 1.00 72.54 N ATOM 168 CA GLN 263 -1.651 35.012 51.680 1.00 72.54 C ATOM 169 CB GLN 263 -2.861 34.148 51.283 1.00 72.54 C ATOM 170 CG GLN 263 -2.661 32.647 51.507 1.00 72.54 C ATOM 171 CD GLN 263 -1.649 32.154 50.485 1.00 72.54 C ATOM 172 OE1 GLN 263 -0.441 32.277 50.681 1.00 72.54 O ATOM 173 NE2 GLN 263 -2.154 31.586 49.358 1.00 72.54 N ATOM 174 C GLN 263 -1.995 36.422 51.327 1.00 72.54 C ATOM 175 O GLN 263 -1.539 36.950 50.315 1.00 72.54 O ATOM 176 N HIS 264 -2.798 37.077 52.181 1.00 47.48 N ATOM 177 CA HIS 264 -3.277 38.403 51.923 1.00 47.48 C ATOM 178 ND1 HIS 264 -5.815 40.562 51.967 1.00 47.48 N ATOM 179 CG HIS 264 -4.742 40.278 52.780 1.00 47.48 C ATOM 180 CB HIS 264 -4.215 38.900 53.033 1.00 47.48 C ATOM 181 NE2 HIS 264 -5.098 42.504 52.777 1.00 47.48 N ATOM 182 CD2 HIS 264 -4.316 41.474 53.267 1.00 47.48 C ATOM 183 CE1 HIS 264 -5.984 41.908 52.002 1.00 47.48 C ATOM 184 C HIS 264 -2.129 39.358 51.842 1.00 47.48 C ATOM 185 O HIS 264 -2.088 40.224 50.970 1.00 47.48 O ATOM 186 N MET 265 -1.143 39.198 52.738 1.00 75.02 N ATOM 187 CA MET 265 -0.040 40.110 52.834 1.00 75.02 C ATOM 188 CB MET 265 0.954 39.704 53.934 1.00 75.02 C ATOM 189 CG MET 265 2.145 40.652 54.069 1.00 75.02 C ATOM 190 SD MET 265 3.323 40.172 55.366 1.00 75.02 S ATOM 191 CE MET 265 3.852 38.648 54.531 1.00 75.02 C ATOM 192 C MET 265 0.718 40.123 51.545 1.00 75.02 C ATOM 193 O MET 265 1.156 41.174 51.079 1.00 75.02 O ATOM 194 N LYS 266 0.873 38.950 50.919 1.00 56.15 N ATOM 195 CA LYS 266 1.668 38.845 49.734 1.00 56.15 C ATOM 196 CB LYS 266 1.749 37.402 49.213 1.00 56.15 C ATOM 197 CG LYS 266 2.502 36.463 50.162 1.00 56.15 C ATOM 198 CD LYS 266 2.308 34.982 49.838 1.00 56.15 C ATOM 199 CE LYS 266 3.403 34.388 48.952 1.00 56.15 C ATOM 200 NZ LYS 266 3.049 33.001 48.581 1.00 56.15 N ATOM 201 C LYS 266 1.084 39.710 48.664 1.00 56.15 C ATOM 202 O LYS 266 1.818 40.300 47.873 1.00 56.15 O ATOM 203 N ASN 267 -0.253 39.827 48.613 1.00 75.15 N ATOM 204 CA ASN 267 -0.859 40.578 47.554 1.00 75.15 C ATOM 205 CB ASN 267 -2.392 40.636 47.669 1.00 75.15 C ATOM 206 CG ASN 267 -2.940 41.262 46.393 1.00 75.15 C ATOM 207 OD1 ASN 267 -2.684 40.779 45.291 1.00 75.15 O ATOM 208 ND2 ASN 267 -3.716 42.367 46.545 1.00 75.15 N ATOM 209 C ASN 267 -0.349 41.984 47.583 1.00 75.15 C ATOM 210 O ASN 267 0.049 42.523 46.552 1.00 75.15 O ATOM 211 N HIS 268 -0.322 42.616 48.768 1.00 39.25 N ATOM 212 CA HIS 268 0.106 43.981 48.825 1.00 39.25 C ATOM 213 ND1 HIS 268 -2.316 45.601 50.298 1.00 39.25 N ATOM 214 CG HIS 268 -1.415 44.652 50.728 1.00 39.25 C ATOM 215 CB HIS 268 0.002 44.568 50.240 1.00 39.25 C ATOM 216 NE2 HIS 268 -3.378 44.351 51.798 1.00 39.25 N ATOM 217 CD2 HIS 268 -2.080 43.896 51.643 1.00 39.25 C ATOM 218 CE1 HIS 268 -3.474 45.375 50.968 1.00 39.25 C ATOM 219 C HIS 268 1.534 44.059 48.395 1.00 39.25 C ATOM 220 O HIS 268 1.898 44.896 47.570 1.00 39.25 O ATOM 221 N ALA 269 2.386 43.164 48.929 1.00 9.57 N ATOM 222 CA ALA 269 3.777 43.217 48.582 1.00 9.57 C ATOM 223 CB ALA 269 4.664 42.329 49.472 1.00 9.57 C ATOM 224 C ALA 269 3.935 42.733 47.145 1.00 9.57 C ATOM 225 O ALA 269 4.160 43.597 46.257 1.00 9.57 O ATOM 226 OXT ALA 269 3.843 41.497 46.918 1.00 9.57 O