EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:56 REMARK 6 MODELLER OBJECTIVE FUNCTION: 99.8565 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.167 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1407.79602 REMARK 6 GA341 score: 0.98671 REMARK 6 Normalized DOPE score: -0.86984 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 54.2% ATOM 1 N GLU 222 -10.505 27.744 48.489 1.00 44.70 N ATOM 2 CA GLU 222 -9.025 27.766 48.536 1.00 44.70 C ATOM 3 CB GLU 222 -8.463 29.132 48.110 1.00 44.70 C ATOM 4 CG GLU 222 -6.931 29.170 48.150 1.00 44.70 C ATOM 5 CD GLU 222 -6.474 30.589 47.860 1.00 44.70 C ATOM 6 OE1 GLU 222 -7.361 31.461 47.666 1.00 44.70 O ATOM 7 OE2 GLU 222 -5.236 30.818 47.825 1.00 44.70 O ATOM 8 C GLU 222 -8.501 27.505 49.908 1.00 44.70 C ATOM 9 O GLU 222 -7.411 26.960 50.062 1.00 44.70 O ATOM 10 N LYS 223 -9.266 27.897 50.945 1.00 56.19 N ATOM 11 CA LYS 223 -8.792 27.700 52.283 1.00 56.19 C ATOM 12 CB LYS 223 -8.893 28.989 53.109 1.00 56.19 C ATOM 13 CG LYS 223 -8.071 30.136 52.517 1.00 56.19 C ATOM 14 CD LYS 223 -8.494 31.510 53.034 1.00 56.19 C ATOM 15 CE LYS 223 -7.787 32.671 52.337 1.00 56.19 C ATOM 16 NZ LYS 223 -8.501 33.938 52.610 1.00 56.19 N ATOM 17 C LYS 223 -9.675 26.679 52.926 1.00 56.19 C ATOM 18 O LYS 223 -10.779 26.983 53.374 1.00 56.19 O ATOM 19 N PRO 224 -9.207 25.464 52.950 1.00117.89 N ATOM 20 CA PRO 224 -9.965 24.387 53.533 1.00117.89 C ATOM 21 CD PRO 224 -8.371 25.004 51.853 1.00117.89 C ATOM 22 CB PRO 224 -9.343 23.102 52.994 1.00117.89 C ATOM 23 CG PRO 224 -8.722 23.524 51.652 1.00117.89 C ATOM 24 C PRO 224 -10.087 24.376 55.029 1.00117.89 C ATOM 25 O PRO 224 -11.060 23.815 55.530 1.00117.89 O ATOM 26 N PHE 225 -9.135 24.965 55.777 1.00 62.73 N ATOM 27 CA PHE 225 -9.223 24.803 57.200 1.00 62.73 C ATOM 28 CB PHE 225 -7.886 24.411 57.858 1.00 62.73 C ATOM 29 CG PHE 225 -7.661 22.982 57.498 1.00 62.73 C ATOM 30 CD1 PHE 225 -8.209 21.992 58.281 1.00 62.73 C ATOM 31 CD2 PHE 225 -6.925 22.628 56.390 1.00 62.73 C ATOM 32 CE1 PHE 225 -8.026 20.666 57.972 1.00 62.73 C ATOM 33 CE2 PHE 225 -6.739 21.301 56.076 1.00 62.73 C ATOM 34 CZ PHE 225 -7.291 20.320 56.865 1.00 62.73 C ATOM 35 C PHE 225 -9.735 26.051 57.841 1.00 62.73 C ATOM 36 O PHE 225 -9.183 27.135 57.664 1.00 62.73 O ATOM 37 N THR 226 -10.812 25.909 58.642 1.00102.54 N ATOM 38 CA THR 226 -11.399 27.055 59.271 1.00102.54 C ATOM 39 CB THR 226 -12.862 27.215 58.977 1.00102.54 C ATOM 40 OG1 THR 226 -13.590 26.100 59.471 1.00102.54 O ATOM 41 CG2 THR 226 -13.048 27.339 57.455 1.00102.54 C ATOM 42 C THR 226 -11.254 26.924 60.755 1.00102.54 C ATOM 43 O THR 226 -11.360 25.833 61.315 1.00102.54 O ATOM 44 N CYS 227 -10.966 28.058 61.427 1.00 41.00 N ATOM 45 CA CYS 227 -10.829 28.069 62.855 1.00 41.00 C ATOM 46 CB CYS 227 -10.127 29.327 63.395 1.00 41.00 C ATOM 47 SG CYS 227 -9.955 29.318 65.206 1.00 41.00 S ATOM 48 C CYS 227 -12.203 28.031 63.439 1.00 41.00 C ATOM 49 O CYS 227 -13.082 28.799 63.054 1.00 41.00 O ATOM 50 N THR 228 -12.420 27.136 64.415 1.00111.44 N ATOM 51 CA THR 228 -13.730 27.013 64.977 1.00111.44 C ATOM 52 CB THR 228 -13.868 25.840 65.908 1.00111.44 C ATOM 53 OG1 THR 228 -15.207 25.742 66.371 1.00111.44 O ATOM 54 CG2 THR 228 -12.895 26.002 67.086 1.00111.44 C ATOM 55 C THR 228 -14.106 28.269 65.701 1.00111.44 C ATOM 56 O THR 228 -15.253 28.705 65.625 1.00111.44 O ATOM 57 N GLN 229 -13.174 28.885 66.458 1.00140.94 N ATOM 58 CA GLN 229 -13.632 30.031 67.193 1.00140.94 C ATOM 59 CB GLN 229 -12.653 30.520 68.279 1.00140.94 C ATOM 60 CG GLN 229 -12.522 29.579 69.481 1.00140.94 C ATOM 61 CD GLN 229 -11.206 28.820 69.378 1.00140.94 C ATOM 62 OE1 GLN 229 -10.165 29.315 69.804 1.00140.94 O ATOM 63 NE2 GLN 229 -11.245 27.585 68.812 1.00140.94 N ATOM 64 C GLN 229 -13.946 31.225 66.330 1.00140.94 C ATOM 65 O GLN 229 -15.073 31.720 66.348 1.00140.94 O ATOM 66 N CYS 230 -12.948 31.725 65.568 1.00 63.81 N ATOM 67 CA CYS 230 -13.081 32.923 64.773 1.00 63.81 C ATOM 68 CB CYS 230 -11.720 33.555 64.438 1.00 63.81 C ATOM 69 SG CYS 230 -10.616 32.431 63.537 1.00 63.81 S ATOM 70 C CYS 230 -13.837 32.723 63.491 1.00 63.81 C ATOM 71 O CYS 230 -14.643 33.569 63.106 1.00 63.81 O ATOM 72 N GLY 231 -13.598 31.600 62.787 1.00 29.82 N ATOM 73 CA GLY 231 -14.253 31.385 61.527 1.00 29.82 C ATOM 74 C GLY 231 -13.319 31.748 60.404 1.00 29.82 C ATOM 75 O GLY 231 -13.679 31.624 59.234 1.00 29.82 O ATOM 76 N LYS 232 -12.091 32.207 60.724 1.00 80.46 N ATOM 77 CA LYS 232 -11.137 32.564 59.704 1.00 80.46 C ATOM 78 CB LYS 232 -9.908 33.307 60.255 1.00 80.46 C ATOM 79 CG LYS 232 -8.953 33.820 59.176 1.00 80.46 C ATOM 80 CD LYS 232 -7.952 34.850 59.702 1.00 80.46 C ATOM 81 CE LYS 232 -6.923 35.283 58.656 1.00 80.46 C ATOM 82 NZ LYS 232 -7.592 36.006 57.552 1.00 80.46 N ATOM 83 C LYS 232 -10.658 31.306 59.045 1.00 80.46 C ATOM 84 O LYS 232 -10.539 30.263 59.689 1.00 80.46 O ATOM 85 N SER 233 -10.359 31.370 57.729 1.00 93.27 N ATOM 86 CA SER 233 -9.982 30.160 57.052 1.00 93.27 C ATOM 87 CB SER 233 -10.902 29.836 55.869 1.00 93.27 C ATOM 88 OG SER 233 -10.687 28.498 55.457 1.00 93.27 O ATOM 89 C SER 233 -8.565 30.278 56.559 1.00 93.27 C ATOM 90 O SER 233 -8.073 31.378 56.307 1.00 93.27 O ATOM 91 N PHE 234 -7.873 29.120 56.422 1.00146.90 N ATOM 92 CA PHE 234 -6.480 29.099 56.061 1.00146.90 C ATOM 93 CB PHE 234 -5.580 28.655 57.227 1.00146.90 C ATOM 94 CG PHE 234 -5.681 29.695 58.287 1.00146.90 C ATOM 95 CD1 PHE 234 -6.711 29.666 59.200 1.00146.90 C ATOM 96 CD2 PHE 234 -4.757 30.711 58.353 1.00146.90 C ATOM 97 CE1 PHE 234 -6.807 30.630 60.174 1.00146.90 C ATOM 98 CE2 PHE 234 -4.849 31.677 59.325 1.00146.90 C ATOM 99 CZ PHE 234 -5.874 31.636 60.241 1.00146.90 C ATOM 100 C PHE 234 -6.246 28.101 54.973 1.00146.90 C ATOM 101 O PHE 234 -6.963 27.110 54.845 1.00146.90 O ATOM 102 N SER 235 -5.215 28.368 54.147 1.00 37.02 N ATOM 103 CA SER 235 -4.819 27.504 53.074 1.00 37.02 C ATOM 104 CB SER 235 -3.790 28.155 52.141 1.00 37.02 C ATOM 105 OG SER 235 -2.578 28.373 52.847 1.00 37.02 O ATOM 106 C SER 235 -4.173 26.274 53.638 1.00 37.02 C ATOM 107 O SER 235 -4.264 25.203 53.040 1.00 37.02 O ATOM 108 N GLN 236 -3.499 26.387 54.805 1.00 45.52 N ATOM 109 CA GLN 236 -2.769 25.249 55.298 1.00 45.52 C ATOM 110 CB GLN 236 -1.249 25.448 55.196 1.00 45.52 C ATOM 111 CG GLN 236 -0.781 25.617 53.748 1.00 45.52 C ATOM 112 CD GLN 236 0.697 25.973 53.759 1.00 45.52 C ATOM 113 OE1 GLN 236 1.416 25.661 54.706 1.00 45.52 O ATOM 114 NE2 GLN 236 1.165 26.653 52.678 1.00 45.52 N ATOM 115 C GLN 236 -3.108 24.987 56.735 1.00 45.52 C ATOM 116 O GLN 236 -3.391 25.902 57.507 1.00 45.52 O ATOM 117 N SER 237 -3.069 23.692 57.115 1.00 65.31 N ATOM 118 CA SER 237 -3.406 23.235 58.437 1.00 65.31 C ATOM 119 CB SER 237 -3.380 21.702 58.563 1.00 65.31 C ATOM 120 OG SER 237 -3.717 21.312 59.887 1.00 65.31 O ATOM 121 C SER 237 -2.427 23.775 59.431 1.00 65.31 C ATOM 122 O SER 237 -2.815 24.182 60.525 1.00 65.31 O ATOM 123 N SER 238 -1.129 23.807 59.075 1.00 23.46 N ATOM 124 CA SER 238 -0.130 24.252 60.002 1.00 23.46 C ATOM 125 CB SER 238 1.292 24.175 59.419 1.00 23.46 C ATOM 126 OG SER 238 1.445 25.135 58.383 1.00 23.46 O ATOM 127 C SER 238 -0.398 25.682 60.341 1.00 23.46 C ATOM 128 O SER 238 -0.221 26.107 61.482 1.00 23.46 O ATOM 129 N ASP 239 -0.836 26.465 59.345 1.00 38.72 N ATOM 130 CA ASP 239 -1.064 27.862 59.550 1.00 38.72 C ATOM 131 CB ASP 239 -1.452 28.587 58.257 1.00 38.72 C ATOM 132 CG ASP 239 -0.276 28.490 57.301 1.00 38.72 C ATOM 133 OD1 ASP 239 0.650 27.677 57.563 1.00 38.72 O ATOM 134 OD2 ASP 239 -0.296 29.223 56.279 1.00 38.72 O ATOM 135 C ASP 239 -2.196 28.033 60.509 1.00 38.72 C ATOM 136 O ASP 239 -2.163 28.914 61.366 1.00 38.72 O ATOM 137 N LEU 240 -3.234 27.184 60.389 1.00105.54 N ATOM 138 CA LEU 240 -4.384 27.303 61.238 1.00105.54 C ATOM 139 CB LEU 240 -5.453 26.235 60.913 1.00105.54 C ATOM 140 CG LEU 240 -6.856 26.405 61.554 1.00105.54 C ATOM 141 CD1 LEU 240 -7.705 25.142 61.342 1.00105.54 C ATOM 142 CD2 LEU 240 -6.823 26.831 63.028 1.00105.54 C ATOM 143 C LEU 240 -3.920 27.068 62.640 1.00105.54 C ATOM 144 O LEU 240 -4.311 27.787 63.560 1.00105.54 O ATOM 145 N ASN 241 -3.042 26.070 62.836 1.00 51.00 N ATOM 146 CA ASN 241 -2.637 25.719 64.167 1.00 51.00 C ATOM 147 CB ASN 241 -1.630 24.556 64.217 1.00 51.00 C ATOM 148 CG ASN 241 -2.406 23.257 64.055 1.00 51.00 C ATOM 149 OD1 ASN 241 -2.243 22.532 63.074 1.00 51.00 O ATOM 150 ND2 ASN 241 -3.277 22.947 65.053 1.00 51.00 N ATOM 151 C ASN 241 -2.003 26.893 64.839 1.00 51.00 C ATOM 152 O ASN 241 -2.310 27.188 65.993 1.00 51.00 O ATOM 153 N LYS 242 -1.103 27.606 64.141 1.00 72.44 N ATOM 154 CA LYS 242 -0.462 28.708 64.794 1.00 72.44 C ATOM 155 CB LYS 242 0.671 29.364 63.988 1.00 72.44 C ATOM 156 CG LYS 242 0.212 30.156 62.766 1.00 72.44 C ATOM 157 CD LYS 242 1.317 31.054 62.209 1.00 72.44 C ATOM 158 CE LYS 242 0.898 31.875 60.990 1.00 72.44 C ATOM 159 NZ LYS 242 2.031 32.711 60.536 1.00 72.44 N ATOM 160 C LYS 242 -1.487 29.753 65.091 1.00 72.44 C ATOM 161 O LYS 242 -1.436 30.401 66.134 1.00 72.44 O ATOM 162 N HIS 243 -2.464 29.931 64.181 1.00 45.06 N ATOM 163 CA HIS 243 -3.468 30.941 64.353 1.00 45.06 C ATOM 164 ND1 HIS 243 -5.490 33.307 63.237 1.00 45.06 N ATOM 165 CG HIS 243 -5.609 31.951 63.438 1.00 45.06 C ATOM 166 CB HIS 243 -4.507 30.955 63.217 1.00 45.06 C ATOM 167 NE2 HIS 243 -7.569 32.951 63.943 1.00 45.06 N ATOM 168 CD2 HIS 243 -6.885 31.751 63.869 1.00 45.06 C ATOM 169 CE1 HIS 243 -6.690 33.857 63.554 1.00 45.06 C ATOM 170 C HIS 243 -4.211 30.684 65.618 1.00 45.06 C ATOM 171 O HIS 243 -4.480 31.613 66.379 1.00 45.06 O ATOM 172 N MET 244 -4.557 29.413 65.891 1.00 59.74 N ATOM 173 CA MET 244 -5.316 29.166 67.080 1.00 59.74 C ATOM 174 CB MET 244 -5.662 27.686 67.297 1.00 59.74 C ATOM 175 CG MET 244 -6.578 27.105 66.221 1.00 59.74 C ATOM 176 SD MET 244 -7.018 25.365 66.503 1.00 59.74 S ATOM 177 CE MET 244 -5.299 24.778 66.556 1.00 59.74 C ATOM 178 C MET 244 -4.491 29.602 68.243 1.00 59.74 C ATOM 179 O MET 244 -4.996 30.246 69.160 1.00 59.74 O ATOM 180 N MET 245 -3.184 29.276 68.226 1.00 54.06 N ATOM 181 CA MET 245 -2.354 29.684 69.319 1.00 54.06 C ATOM 182 CB MET 245 -1.030 28.903 69.410 1.00 54.06 C ATOM 183 CG MET 245 -0.158 29.328 70.595 1.00 54.06 C ATOM 184 SD MET 245 1.213 28.195 70.977 1.00 54.06 S ATOM 185 CE MET 245 2.186 28.544 69.483 1.00 54.06 C ATOM 186 C MET 245 -2.027 31.159 69.107 1.00 54.06 C ATOM 187 O MET 245 -1.366 31.756 70.000 1.00 54.06 O ATOM 188 OXT MET 245 -2.447 31.714 68.056 1.00 54.06 O