EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:29 REMARK 6 MODELLER OBJECTIVE FUNCTION: 87.1197 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1648.47974 REMARK 6 GA341 score: 0.99927 REMARK 6 Normalized DOPE score: -0.68817 REMARK 6 TEMPLATE: 2i13A02 78:A - 100:A MODELS 1: - 23: AT 47.8% ATOM 1 N ILE 234 -11.960 26.250 58.037 1.00 86.39 N ATOM 2 CA ILE 234 -12.403 25.207 58.990 1.00 86.39 C ATOM 3 CB ILE 234 -11.438 25.087 60.133 1.00 86.39 C ATOM 4 CG1 ILE 234 -10.024 24.771 59.604 1.00 86.39 C ATOM 5 CG2 ILE 234 -11.986 24.032 61.109 1.00 86.39 C ATOM 6 CD1 ILE 234 -9.950 23.542 58.695 1.00 86.39 C ATOM 7 C ILE 234 -13.764 25.535 59.504 1.00 86.39 C ATOM 8 O ILE 234 -14.114 26.706 59.654 1.00 86.39 O ATOM 9 N THR 235 -14.580 24.501 59.791 1.00 35.98 N ATOM 10 CA THR 235 -15.932 24.788 60.163 1.00 35.98 C ATOM 11 CB THR 235 -16.933 24.186 59.226 1.00 35.98 C ATOM 12 OG1 THR 235 -16.667 24.631 57.905 1.00 35.98 O ATOM 13 CG2 THR 235 -18.344 24.638 59.647 1.00 35.98 C ATOM 14 C THR 235 -16.203 24.261 61.532 1.00 35.98 C ATOM 15 O THR 235 -15.676 23.228 61.939 1.00 35.98 O ATOM 16 N CYS 236 -17.049 25.001 62.281 1.00 46.26 N ATOM 17 CA CYS 236 -17.396 24.646 63.627 1.00 46.26 C ATOM 18 CB CYS 236 -18.063 25.797 64.405 1.00 46.26 C ATOM 19 SG CYS 236 -18.419 25.391 66.141 1.00 46.26 S ATOM 20 C CYS 236 -18.356 23.504 63.577 1.00 46.26 C ATOM 21 O CYS 236 -19.342 23.525 62.839 1.00 46.26 O ATOM 22 N THR 237 -18.082 22.464 64.380 1.00106.01 N ATOM 23 CA THR 237 -18.915 21.304 64.367 1.00106.01 C ATOM 24 CB THR 237 -18.367 20.197 65.223 1.00106.01 C ATOM 25 OG1 THR 237 -19.204 19.055 65.157 1.00106.01 O ATOM 26 CG2 THR 237 -18.249 20.689 66.673 1.00106.01 C ATOM 27 C THR 237 -20.289 21.656 64.852 1.00106.01 C ATOM 28 O THR 237 -21.283 21.217 64.276 1.00106.01 O ATOM 29 N GLN 238 -20.391 22.454 65.936 1.00111.63 N ATOM 30 CA GLN 238 -21.698 22.691 66.480 1.00111.63 C ATOM 31 CB GLN 238 -21.641 23.436 67.823 1.00111.63 C ATOM 32 CG GLN 238 -22.986 23.468 68.545 1.00111.63 C ATOM 33 CD GLN 238 -23.229 22.066 69.075 1.00111.63 C ATOM 34 OE1 GLN 238 -22.330 21.446 69.642 1.00111.63 O ATOM 35 NE2 GLN 238 -24.463 21.538 68.856 1.00111.63 N ATOM 36 C GLN 238 -22.567 23.516 65.574 1.00111.63 C ATOM 37 O GLN 238 -23.644 23.083 65.163 1.00111.63 O ATOM 38 N CYS 239 -22.102 24.743 65.259 1.00100.05 N ATOM 39 CA CYS 239 -22.799 25.729 64.475 1.00100.05 C ATOM 40 CB CYS 239 -22.136 27.107 64.618 1.00100.05 C ATOM 41 SG CYS 239 -22.919 28.384 63.599 1.00100.05 S ATOM 42 C CYS 239 -22.836 25.399 63.016 1.00100.05 C ATOM 43 O CYS 239 -23.883 25.504 62.377 1.00100.05 O ATOM 44 N GLY 240 -21.689 24.979 62.455 1.00 23.66 N ATOM 45 CA GLY 240 -21.623 24.744 61.043 1.00 23.66 C ATOM 46 C GLY 240 -21.047 25.973 60.395 1.00 23.66 C ATOM 47 O GLY 240 -20.915 26.040 59.172 1.00 23.66 O ATOM 48 N LYS 241 -20.681 26.978 61.215 1.00 57.02 N ATOM 49 CA LYS 241 -20.135 28.210 60.720 1.00 57.02 C ATOM 50 CB LYS 241 -20.076 29.309 61.795 1.00 57.02 C ATOM 51 CG LYS 241 -19.736 30.702 61.258 1.00 57.02 C ATOM 52 CD LYS 241 -20.043 31.828 62.255 1.00 57.02 C ATOM 53 CE LYS 241 -19.721 33.230 61.736 1.00 57.02 C ATOM 54 NZ LYS 241 -20.330 34.251 62.621 1.00 57.02 N ATOM 55 C LYS 241 -18.742 27.934 60.249 1.00 57.02 C ATOM 56 O LYS 241 -18.003 27.171 60.868 1.00 57.02 O ATOM 57 N SER 242 -18.344 28.561 59.125 1.00 49.17 N ATOM 58 CA SER 242 -17.043 28.290 58.582 1.00 49.17 C ATOM 59 CB SER 242 -17.084 27.972 57.080 1.00 49.17 C ATOM 60 OG SER 242 -17.844 26.794 56.849 1.00 49.17 O ATOM 61 C SER 242 -16.196 29.506 58.780 1.00 49.17 C ATOM 62 O SER 242 -16.702 30.626 58.786 1.00 49.17 O ATOM 63 N PHE 243 -14.875 29.300 58.966 1.00152.52 N ATOM 64 CA PHE 243 -14.019 30.412 59.249 1.00152.52 C ATOM 65 CB PHE 243 -13.518 30.423 60.705 1.00152.52 C ATOM 66 CG PHE 243 -14.683 30.795 61.568 1.00152.52 C ATOM 67 CD1 PHE 243 -15.605 29.856 61.970 1.00152.52 C ATOM 68 CD2 PHE 243 -14.857 32.104 61.956 1.00152.52 C ATOM 69 CE1 PHE 243 -16.676 30.209 62.758 1.00152.52 C ATOM 70 CE2 PHE 243 -15.926 32.464 62.745 1.00152.52 C ATOM 71 CZ PHE 243 -16.836 31.516 63.149 1.00152.52 C ATOM 72 C PHE 243 -12.840 30.412 58.336 1.00152.52 C ATOM 73 O PHE 243 -12.376 29.379 57.855 1.00152.52 O ATOM 74 N ASN 244 -12.359 31.639 58.068 1.00 92.50 N ATOM 75 CA ASN 244 -11.242 31.898 57.218 1.00 92.50 C ATOM 76 CB ASN 244 -11.088 33.406 56.969 1.00 92.50 C ATOM 77 CG ASN 244 -12.440 33.840 56.410 1.00 92.50 C ATOM 78 OD1 ASN 244 -12.874 33.380 55.354 1.00 92.50 O ATOM 79 ND2 ASN 244 -13.153 34.712 57.173 1.00 92.50 N ATOM 80 C ASN 244 -10.012 31.374 57.887 1.00 92.50 C ATOM 81 O ASN 244 -9.155 30.777 57.232 1.00 92.50 O ATOM 82 N ARG 245 -9.907 31.559 59.226 1.00115.26 N ATOM 83 CA ARG 245 -8.724 31.169 59.948 1.00115.26 C ATOM 84 CB ARG 245 -7.950 32.346 60.574 1.00115.26 C ATOM 85 CG ARG 245 -7.306 33.297 59.562 1.00115.26 C ATOM 86 CD ARG 245 -6.329 34.263 60.229 1.00115.26 C ATOM 87 NE ARG 245 -7.048 34.786 61.423 1.00115.26 N ATOM 88 CZ ARG 245 -6.371 35.261 62.508 1.00115.26 C ATOM 89 NH1 ARG 245 -5.023 35.460 62.439 1.00115.26 N ATOM 90 NH2 ARG 245 -7.051 35.514 63.665 1.00115.26 N ATOM 91 C ARG 245 -9.072 30.239 61.076 1.00115.26 C ATOM 92 O ARG 245 -10.131 30.331 61.698 1.00115.26 O ATOM 93 N SER 246 -8.137 29.309 61.352 1.00 67.66 N ATOM 94 CA SER 246 -8.270 28.290 62.352 1.00 67.66 C ATOM 95 CB SER 246 -7.117 27.275 62.283 1.00 67.66 C ATOM 96 OG SER 246 -5.872 27.954 62.265 1.00 67.66 O ATOM 97 C SER 246 -8.324 28.894 63.722 1.00 67.66 C ATOM 98 O SER 246 -9.098 28.453 64.571 1.00 67.66 O ATOM 99 N SER 247 -7.510 29.936 63.968 1.00 68.25 N ATOM 100 CA SER 247 -7.453 30.564 65.258 1.00 68.25 C ATOM 101 CB SER 247 -6.421 31.710 65.303 1.00 68.25 C ATOM 102 OG SER 247 -5.097 31.195 65.240 1.00 68.25 O ATOM 103 C SER 247 -8.794 31.154 65.565 1.00 68.25 C ATOM 104 O SER 247 -9.270 31.105 66.700 1.00 68.25 O ATOM 105 N ASN 248 -9.433 31.734 64.535 1.00 37.47 N ATOM 106 CA ASN 248 -10.706 32.374 64.688 1.00 37.47 C ATOM 107 CB ASN 248 -11.188 33.063 63.407 1.00 37.47 C ATOM 108 CG ASN 248 -10.307 34.275 63.153 1.00 37.47 C ATOM 109 OD1 ASN 248 -9.633 34.782 64.047 1.00 37.47 O ATOM 110 ND2 ASN 248 -10.336 34.767 61.885 1.00 37.47 N ATOM 111 C ASN 248 -11.738 31.356 65.044 1.00 37.47 C ATOM 112 O ASN 248 -12.618 31.625 65.861 1.00 37.47 O ATOM 113 N LEU 249 -11.678 30.156 64.438 1.00108.77 N ATOM 114 CA LEU 249 -12.686 29.183 64.743 1.00108.77 C ATOM 115 CB LEU 249 -12.523 27.859 63.959 1.00108.77 C ATOM 116 CG LEU 249 -13.766 26.931 63.962 1.00108.77 C ATOM 117 CD1 LEU 249 -13.479 25.600 63.250 1.00108.77 C ATOM 118 CD2 LEU 249 -14.367 26.733 65.358 1.00108.77 C ATOM 119 C LEU 249 -12.543 28.897 66.206 1.00108.77 C ATOM 120 O LEU 249 -13.526 28.798 66.938 1.00108.77 O ATOM 121 N TYR 250 -11.286 28.826 66.681 1.00144.15 N ATOM 122 CA TYR 250 -11.027 28.508 68.053 1.00144.15 C ATOM 123 CB TYR 250 -9.537 28.491 68.415 1.00144.15 C ATOM 124 CG TYR 250 -9.498 28.289 69.886 1.00144.15 C ATOM 125 CD1 TYR 250 -9.875 27.079 70.417 1.00144.15 C ATOM 126 CD2 TYR 250 -9.072 29.291 70.730 1.00144.15 C ATOM 127 CE1 TYR 250 -9.846 26.868 71.775 1.00144.15 C ATOM 128 CE2 TYR 250 -9.040 29.083 72.089 1.00144.15 C ATOM 129 CZ TYR 250 -9.430 27.875 72.615 1.00144.15 C ATOM 130 OH TYR 250 -9.399 27.662 74.009 1.00144.15 O ATOM 131 C TYR 250 -11.677 29.518 68.945 1.00144.15 C ATOM 132 O TYR 250 -12.254 29.147 69.966 1.00144.15 O ATOM 133 N GLN 251 -11.606 30.816 68.590 1.00124.26 N ATOM 134 CA GLN 251 -12.176 31.839 69.422 1.00124.26 C ATOM 135 CB GLN 251 -12.027 33.252 68.817 1.00124.26 C ATOM 136 CG GLN 251 -10.591 33.665 68.462 1.00124.26 C ATOM 137 CD GLN 251 -9.812 33.916 69.744 1.00124.26 C ATOM 138 OE1 GLN 251 -8.665 34.358 69.710 1.00124.26 O ATOM 139 NE2 GLN 251 -10.446 33.619 70.909 1.00124.26 N ATOM 140 C GLN 251 -13.648 31.567 69.485 1.00124.26 C ATOM 141 O GLN 251 -14.276 31.690 70.535 1.00124.26 O ATOM 142 N HIS 252 -14.232 31.173 68.338 1.00 61.28 N ATOM 143 CA HIS 252 -15.642 30.933 68.227 1.00 61.28 C ATOM 144 ND1 HIS 252 -18.315 31.774 66.663 1.00 61.28 N ATOM 145 CG HIS 252 -17.572 30.621 66.627 1.00 61.28 C ATOM 146 CB HIS 252 -16.084 30.612 66.788 1.00 61.28 C ATOM 147 NE2 HIS 252 -19.745 30.101 66.355 1.00 61.28 N ATOM 148 CD2 HIS 252 -18.453 29.605 66.436 1.00 61.28 C ATOM 149 CE1 HIS 252 -19.612 31.406 66.496 1.00 61.28 C ATOM 150 C HIS 252 -15.996 29.770 69.098 1.00 61.28 C ATOM 151 O HIS 252 -17.056 29.746 69.719 1.00 61.28 O ATOM 152 N MET 253 -15.090 28.782 69.189 1.00114.44 N ATOM 153 CA MET 253 -15.330 27.600 69.963 1.00114.44 C ATOM 154 CB MET 253 -14.084 26.690 70.048 1.00114.44 C ATOM 155 CG MET 253 -13.724 25.921 68.773 1.00114.44 C ATOM 156 SD MET 253 -14.806 24.500 68.447 1.00114.44 S ATOM 157 CE MET 253 -14.724 23.901 70.160 1.00114.44 C ATOM 158 C MET 253 -15.602 28.028 71.373 1.00114.44 C ATOM 159 O MET 253 -16.490 27.481 72.027 1.00114.44 O ATOM 160 N ARG 254 -14.871 29.045 71.864 1.00 94.59 N ATOM 161 CA ARG 254 -14.972 29.455 73.237 1.00 94.59 C ATOM 162 CB ARG 254 -14.134 30.712 73.552 1.00 94.59 C ATOM 163 CG ARG 254 -12.622 30.541 73.387 1.00 94.59 C ATOM 164 CD ARG 254 -11.829 31.819 73.695 1.00 94.59 C ATOM 165 NE ARG 254 -10.371 31.503 73.634 1.00 94.59 N ATOM 166 CZ ARG 254 -9.459 32.521 73.684 1.00 94.59 C ATOM 167 NH1 ARG 254 -9.873 33.823 73.688 1.00 94.59 N ATOM 168 NH2 ARG 254 -8.124 32.243 73.743 1.00 94.59 N ATOM 169 C ARG 254 -16.384 29.837 73.539 1.00 94.59 C ATOM 170 O ARG 254 -16.921 29.495 74.591 1.00 94.59 O ATOM 171 N ILE 255 -17.022 30.549 72.597 1.00 32.95 N ATOM 172 CA ILE 255 -18.331 31.085 72.807 1.00 32.95 C ATOM 173 CB ILE 255 -18.817 31.812 71.590 1.00 32.95 C ATOM 174 CG1 ILE 255 -17.799 32.885 71.166 1.00 32.95 C ATOM 175 CG2 ILE 255 -20.201 32.392 71.912 1.00 32.95 C ATOM 176 CD1 ILE 255 -18.007 33.400 69.741 1.00 32.95 C ATOM 177 C ILE 255 -19.273 29.950 73.056 1.00 32.95 C ATOM 178 O ILE 255 -20.019 29.961 74.034 1.00 32.95 O ATOM 179 N HIS 256 -19.244 28.915 72.192 1.00 33.67 N ATOM 180 CA HIS 256 -20.126 27.801 72.392 1.00 33.67 C ATOM 181 ND1 HIS 256 -22.312 27.368 69.810 1.00 33.67 N ATOM 182 CG HIS 256 -20.953 27.434 70.004 1.00 33.67 C ATOM 183 CB HIS 256 -20.238 26.848 71.186 1.00 33.67 C ATOM 184 NE2 HIS 256 -21.477 28.449 68.057 1.00 33.67 N ATOM 185 CD2 HIS 256 -20.457 28.101 68.923 1.00 33.67 C ATOM 186 CE1 HIS 256 -22.574 27.988 68.630 1.00 33.67 C ATOM 187 C HIS 256 -19.558 26.987 73.541 1.00 33.67 C ATOM 188 O HIS 256 -19.924 27.312 74.700 1.00 33.67 O ATOM 189 OXT HIS 256 -18.761 26.040 73.293 1.00 33.67 O