EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:25 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.7860 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.259 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1740.38330 REMARK 6 GA341 score: 0.98175 REMARK 6 Normalized DOPE score: -0.73391 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 59.3% ATOM 1 N GLU 203 -4.201 17.027 69.729 1.00 50.96 N ATOM 2 CA GLU 203 -5.455 17.128 68.953 1.00 50.96 C ATOM 3 CB GLU 203 -6.669 17.193 69.896 1.00 50.96 C ATOM 4 CG GLU 203 -6.668 18.431 70.795 1.00 50.96 C ATOM 5 CD GLU 203 -7.911 18.392 71.677 1.00 50.96 C ATOM 6 OE1 GLU 203 -8.609 17.341 71.662 1.00 50.96 O ATOM 7 OE2 GLU 203 -8.175 19.401 72.382 1.00 50.96 O ATOM 8 C GLU 203 -5.448 18.356 68.106 1.00 50.96 C ATOM 9 O GLU 203 -4.491 19.130 68.114 1.00 50.96 O ATOM 10 N LYS 204 -6.526 18.554 67.328 1.00113.31 N ATOM 11 CA LYS 204 -6.562 19.714 66.490 1.00113.31 C ATOM 12 CB LYS 204 -6.866 19.381 65.021 1.00113.31 C ATOM 13 CG LYS 204 -6.056 18.204 64.465 1.00113.31 C ATOM 14 CD LYS 204 -4.537 18.344 64.556 1.00113.31 C ATOM 15 CE LYS 204 -3.799 17.127 63.984 1.00113.31 C ATOM 16 NZ LYS 204 -2.376 17.140 64.394 1.00113.31 N ATOM 17 C LYS 204 -7.701 20.546 66.988 1.00113.31 C ATOM 18 O LYS 204 -8.867 20.293 66.687 1.00113.31 O ATOM 19 N PRO 205 -7.367 21.525 67.773 1.00102.28 N ATOM 20 CA PRO 205 -8.382 22.364 68.352 1.00102.28 C ATOM 21 CD PRO 205 -6.248 21.332 68.684 1.00102.28 C ATOM 22 CB PRO 205 -7.733 23.041 69.559 1.00102.28 C ATOM 23 CG PRO 205 -6.638 22.048 69.986 1.00102.28 C ATOM 24 C PRO 205 -9.068 23.324 67.428 1.00102.28 C ATOM 25 O PRO 205 -10.128 23.827 67.798 1.00102.28 O ATOM 26 N PHE 206 -8.511 23.616 66.239 1.00 59.10 N ATOM 27 CA PHE 206 -9.138 24.630 65.438 1.00 59.10 C ATOM 28 CB PHE 206 -8.104 25.597 64.832 1.00 59.10 C ATOM 29 CG PHE 206 -7.341 26.133 66.000 1.00 59.10 C ATOM 30 CD1 PHE 206 -7.852 27.148 66.776 1.00 59.10 C ATOM 31 CD2 PHE 206 -6.109 25.609 66.325 1.00 59.10 C ATOM 32 CE1 PHE 206 -7.146 27.628 67.855 1.00 59.10 C ATOM 33 CE2 PHE 206 -5.399 26.086 67.402 1.00 59.10 C ATOM 34 CZ PHE 206 -5.918 27.099 68.171 1.00 59.10 C ATOM 35 C PHE 206 -9.896 23.968 64.328 1.00 59.10 C ATOM 36 O PHE 206 -9.318 23.271 63.495 1.00 59.10 O ATOM 37 N THR 207 -11.228 24.199 64.276 1.00100.42 N ATOM 38 CA THR 207 -12.046 23.541 63.297 1.00100.42 C ATOM 39 CB THR 207 -13.195 22.784 63.900 1.00100.42 C ATOM 40 OG1 THR 207 -13.880 22.051 62.895 1.00100.42 O ATOM 41 CG2 THR 207 -14.146 23.780 64.586 1.00100.42 C ATOM 42 C THR 207 -12.610 24.548 62.341 1.00100.42 C ATOM 43 O THR 207 -12.999 25.651 62.723 1.00100.42 O ATOM 44 N CYS 208 -12.638 24.172 61.046 1.00 43.02 N ATOM 45 CA CYS 208 -13.156 25.016 60.005 1.00 43.02 C ATOM 46 CB CYS 208 -12.661 24.608 58.600 1.00 43.02 C ATOM 47 SG CYS 208 -13.301 25.653 57.255 1.00 43.02 S ATOM 48 C CYS 208 -14.646 24.916 60.024 1.00 43.02 C ATOM 49 O CYS 208 -15.212 23.826 60.055 1.00 43.02 O ATOM 50 N SER 209 -15.331 26.072 59.997 1.00 76.99 N ATOM 51 CA SER 209 -16.763 26.062 60.042 1.00 76.99 C ATOM 52 CB SER 209 -17.371 27.468 60.188 1.00 76.99 C ATOM 53 OG SER 209 -18.789 27.381 60.211 1.00 76.99 O ATOM 54 C SER 209 -17.314 25.460 58.785 1.00 76.99 C ATOM 55 O SER 209 -18.348 24.793 58.826 1.00 76.99 O ATOM 56 N GLN 210 -16.669 25.704 57.621 1.00148.94 N ATOM 57 CA GLN 210 -17.271 25.225 56.406 1.00148.94 C ATOM 58 CB GLN 210 -16.556 25.720 55.131 1.00148.94 C ATOM 59 CG GLN 210 -16.528 27.241 54.953 1.00148.94 C ATOM 60 CD GLN 210 -15.198 27.756 55.486 1.00148.94 C ATOM 61 OE1 GLN 210 -14.146 27.509 54.897 1.00148.94 O ATOM 62 NE2 GLN 210 -15.236 28.496 56.626 1.00148.94 N ATOM 63 C GLN 210 -17.262 23.727 56.306 1.00148.94 C ATOM 64 O GLN 210 -18.321 23.105 56.242 1.00148.94 O ATOM 65 N CYS 211 -16.052 23.122 56.250 1.00 73.45 N ATOM 66 CA CYS 211 -15.874 21.698 56.077 1.00 73.45 C ATOM 67 CB CYS 211 -14.546 21.338 55.386 1.00 73.45 C ATOM 68 SG CYS 211 -13.085 21.946 56.273 1.00 73.45 S ATOM 69 C CYS 211 -15.987 20.908 57.345 1.00 73.45 C ATOM 70 O CYS 211 -16.525 19.802 57.353 1.00 73.45 O ATOM 71 N GLY 212 -15.476 21.456 58.464 1.00 30.06 N ATOM 72 CA GLY 212 -15.456 20.709 59.687 1.00 30.06 C ATOM 73 C GLY 212 -14.094 20.092 59.859 1.00 30.06 C ATOM 74 O GLY 212 -13.884 19.309 60.783 1.00 30.06 O ATOM 75 N LYS 213 -13.128 20.422 58.973 1.00 61.53 N ATOM 76 CA LYS 213 -11.794 19.882 59.079 1.00 61.53 C ATOM 77 CB LYS 213 -10.956 20.109 57.809 1.00 61.53 C ATOM 78 CG LYS 213 -9.645 19.321 57.774 1.00 61.53 C ATOM 79 CD LYS 213 -9.020 19.261 56.377 1.00 61.53 C ATOM 80 CE LYS 213 -7.700 18.488 56.312 1.00 61.53 C ATOM 81 NZ LYS 213 -7.265 18.326 54.903 1.00 61.53 N ATOM 82 C LYS 213 -11.090 20.554 60.228 1.00 61.53 C ATOM 83 O LYS 213 -11.276 21.747 60.462 1.00 61.53 O ATOM 84 N SER 214 -10.241 19.802 60.971 1.00 52.91 N ATOM 85 CA SER 214 -9.590 20.358 62.133 1.00 52.91 C ATOM 86 CB SER 214 -9.756 19.501 63.402 1.00 52.91 C ATOM 87 OG SER 214 -11.118 19.466 63.800 1.00 52.91 O ATOM 88 C SER 214 -8.113 20.490 61.890 1.00 52.91 C ATOM 89 O SER 214 -7.524 19.725 61.127 1.00 52.91 O ATOM 90 N PHE 215 -7.480 21.484 62.557 1.00150.45 N ATOM 91 CA PHE 215 -6.080 21.763 62.360 1.00150.45 C ATOM 92 CB PHE 215 -5.823 23.065 61.573 1.00150.45 C ATOM 93 CG PHE 215 -6.256 22.868 60.159 1.00150.45 C ATOM 94 CD1 PHE 215 -7.564 23.077 59.791 1.00150.45 C ATOM 95 CD2 PHE 215 -5.355 22.460 59.203 1.00150.45 C ATOM 96 CE1 PHE 215 -7.962 22.890 58.487 1.00150.45 C ATOM 97 CE2 PHE 215 -5.746 22.273 57.898 1.00150.45 C ATOM 98 CZ PHE 215 -7.054 22.487 57.537 1.00150.45 C ATOM 99 C PHE 215 -5.385 21.933 63.679 1.00150.45 C ATOM 100 O PHE 215 -5.978 22.313 64.688 1.00150.45 O ATOM 101 N SER 216 -4.073 21.626 63.677 1.00 81.62 N ATOM 102 CA SER 216 -3.213 21.728 64.819 1.00 81.62 C ATOM 103 CB SER 216 -1.810 21.172 64.538 1.00 81.62 C ATOM 104 OG SER 216 -1.903 19.824 64.113 1.00 81.62 O ATOM 105 C SER 216 -3.013 23.172 65.163 1.00 81.62 C ATOM 106 O SER 216 -2.917 23.515 66.340 1.00 81.62 O ATOM 107 N GLN 217 -2.928 24.060 64.148 1.00 47.86 N ATOM 108 CA GLN 217 -2.629 25.429 64.469 1.00 47.86 C ATOM 109 CB GLN 217 -1.211 25.870 64.062 1.00 47.86 C ATOM 110 CG GLN 217 -0.096 25.171 64.846 1.00 47.86 C ATOM 111 CD GLN 217 1.235 25.712 64.346 1.00 47.86 C ATOM 112 OE1 GLN 217 1.697 25.366 63.260 1.00 47.86 O ATOM 113 NE2 GLN 217 1.866 26.599 65.161 1.00 47.86 N ATOM 114 C GLN 217 -3.597 26.357 63.799 1.00 47.86 C ATOM 115 O GLN 217 -4.174 26.053 62.757 1.00 47.86 O ATOM 116 N SER 218 -3.776 27.542 64.420 1.00 28.39 N ATOM 117 CA SER 218 -4.691 28.558 63.985 1.00 28.39 C ATOM 118 CB SER 218 -4.712 29.769 64.932 1.00 28.39 C ATOM 119 OG SER 218 -5.136 29.374 66.229 1.00 28.39 O ATOM 120 C SER 218 -4.285 29.075 62.640 1.00 28.39 C ATOM 121 O SER 218 -5.131 29.293 61.774 1.00 28.39 O ATOM 122 N SER 219 -2.972 29.275 62.422 1.00 24.83 N ATOM 123 CA SER 219 -2.517 29.856 61.190 1.00 24.83 C ATOM 124 CB SER 219 -0.993 30.056 61.153 1.00 24.83 C ATOM 125 OG SER 219 -0.341 28.796 61.124 1.00 24.83 O ATOM 126 C SER 219 -2.869 28.949 60.054 1.00 24.83 C ATOM 127 O SER 219 -3.264 29.408 58.983 1.00 24.83 O ATOM 128 N SER 220 -2.733 27.627 60.265 1.00 26.60 N ATOM 129 CA SER 220 -2.983 26.678 59.220 1.00 26.60 C ATOM 130 CB SER 220 -2.609 25.237 59.624 1.00 26.60 C ATOM 131 OG SER 220 -1.204 25.133 59.807 1.00 26.60 O ATOM 132 C SER 220 -4.438 26.702 58.866 1.00 26.60 C ATOM 133 O SER 220 -4.802 26.576 57.698 1.00 26.60 O ATOM 134 N LEU 221 -5.313 26.871 59.875 1.00107.00 N ATOM 135 CA LEU 221 -6.730 26.882 59.646 1.00107.00 C ATOM 136 CB LEU 221 -7.514 27.041 60.968 1.00107.00 C ATOM 137 CG LEU 221 -9.026 26.732 60.918 1.00107.00 C ATOM 138 CD1 LEU 221 -9.723 27.243 62.189 1.00107.00 C ATOM 139 CD2 LEU 221 -9.704 27.200 59.625 1.00107.00 C ATOM 140 C LEU 221 -7.023 28.075 58.783 1.00107.00 C ATOM 141 O LEU 221 -7.791 27.994 57.825 1.00107.00 O ATOM 142 N ASN 222 -6.373 29.214 59.087 1.00 63.55 N ATOM 143 CA ASN 222 -6.631 30.441 58.389 1.00 63.55 C ATOM 144 CB ASN 222 -5.791 31.618 58.917 1.00 63.55 C ATOM 145 CG ASN 222 -6.357 32.900 58.323 1.00 63.55 C ATOM 146 OD1 ASN 222 -6.352 33.089 57.108 1.00 63.55 O ATOM 147 ND2 ASN 222 -6.865 33.805 59.202 1.00 63.55 N ATOM 148 C ASN 222 -6.319 30.259 56.938 1.00 63.55 C ATOM 149 O ASN 222 -7.073 30.718 56.082 1.00 63.55 O ATOM 150 N ILE 223 -5.202 29.579 56.610 1.00 33.79 N ATOM 151 CA ILE 223 -4.877 29.393 55.222 1.00 33.79 C ATOM 152 CB ILE 223 -3.588 28.662 54.970 1.00 33.79 C ATOM 153 CG1 ILE 223 -2.384 29.473 55.472 1.00 33.79 C ATOM 154 CG2 ILE 223 -3.525 28.332 53.467 1.00 33.79 C ATOM 155 CD1 ILE 223 -1.065 28.705 55.397 1.00 33.79 C ATOM 156 C ILE 223 -5.950 28.565 54.595 1.00 33.79 C ATOM 157 O ILE 223 -6.391 28.841 53.481 1.00 33.79 O ATOM 158 N HIS 224 -6.404 27.526 55.315 1.00 57.55 N ATOM 159 CA HIS 224 -7.373 26.601 54.807 1.00 57.55 C ATOM 160 ND1 HIS 224 -8.530 23.474 54.519 1.00 57.55 N ATOM 161 CG HIS 224 -8.736 24.530 55.377 1.00 57.55 C ATOM 162 CB HIS 224 -7.682 25.490 55.827 1.00 57.55 C ATOM 163 NE2 HIS 224 -10.686 23.443 55.064 1.00 57.55 N ATOM 164 CD2 HIS 224 -10.057 24.496 55.701 1.00 57.55 C ATOM 165 CE1 HIS 224 -9.729 22.858 54.366 1.00 57.55 C ATOM 166 C HIS 224 -8.651 27.312 54.473 1.00 57.55 C ATOM 167 O HIS 224 -9.251 27.059 53.431 1.00 57.55 O ATOM 168 N MET 225 -9.098 28.250 55.324 1.00 68.72 N ATOM 169 CA MET 225 -10.348 28.908 55.063 1.00 68.72 C ATOM 170 CB MET 225 -10.711 29.988 56.093 1.00 68.72 C ATOM 171 CG MET 225 -11.015 29.457 57.489 1.00 68.72 C ATOM 172 SD MET 225 -11.358 30.772 58.694 1.00 68.72 S ATOM 173 CE MET 225 -11.251 29.686 60.144 1.00 68.72 C ATOM 174 C MET 225 -10.251 29.628 53.761 1.00 68.72 C ATOM 175 O MET 225 -11.204 29.666 52.984 1.00 68.72 O ATOM 176 N ARG 226 -9.077 30.206 53.478 1.00 90.34 N ATOM 177 CA ARG 226 -8.908 31.006 52.305 1.00 90.34 C ATOM 178 CB ARG 226 -7.470 31.545 52.197 1.00 90.34 C ATOM 179 CG ARG 226 -7.101 32.453 53.377 1.00 90.34 C ATOM 180 CD ARG 226 -5.678 33.015 53.347 1.00 90.34 C ATOM 181 NE ARG 226 -5.532 33.884 54.548 1.00 90.34 N ATOM 182 CZ ARG 226 -4.336 34.482 54.821 1.00 90.34 C ATOM 183 NH1 ARG 226 -3.263 34.268 54.008 1.00 90.34 N ATOM 184 NH2 ARG 226 -4.217 35.297 55.909 1.00 90.34 N ATOM 185 C ARG 226 -9.211 30.178 51.089 1.00 90.34 C ATOM 186 O ARG 226 -9.831 30.670 50.146 1.00 90.34 O ATOM 187 N ILE 227 -8.797 28.894 51.075 1.00 97.36 N ATOM 188 CA ILE 227 -8.986 28.094 49.896 1.00 97.36 C ATOM 189 CB ILE 227 -8.276 26.764 49.931 1.00 97.36 C ATOM 190 CG1 ILE 227 -8.816 25.839 51.025 1.00 97.36 C ATOM 191 CG2 ILE 227 -6.770 27.047 50.066 1.00 97.36 C ATOM 192 CD1 ILE 227 -8.232 24.431 50.942 1.00 97.36 C ATOM 193 C ILE 227 -10.443 27.888 49.589 1.00 97.36 C ATOM 194 O ILE 227 -10.840 28.014 48.432 1.00 97.36 O ATOM 195 N HIS 228 -11.295 27.572 50.587 1.00 45.39 N ATOM 196 CA HIS 228 -12.682 27.377 50.252 1.00 45.39 C ATOM 197 ND1 HIS 228 -13.780 24.449 51.419 1.00 45.39 N ATOM 198 CG HIS 228 -13.326 25.611 52.005 1.00 45.39 C ATOM 199 CB HIS 228 -13.574 26.987 51.451 1.00 45.39 C ATOM 200 NE2 HIS 228 -12.717 23.846 53.277 1.00 45.39 N ATOM 201 CD2 HIS 228 -12.678 25.222 53.137 1.00 45.39 C ATOM 202 CE1 HIS 228 -13.389 23.426 52.221 1.00 45.39 C ATOM 203 C HIS 228 -13.214 28.670 49.715 1.00 45.39 C ATOM 204 O HIS 228 -13.845 28.710 48.659 1.00 45.39 O ATOM 205 N THR 229 -12.943 29.776 50.430 1.00 16.03 N ATOM 206 CA THR 229 -13.408 31.065 50.013 1.00 16.03 C ATOM 207 CB THR 229 -13.170 32.126 51.043 1.00 16.03 C ATOM 208 OG1 THR 229 -11.777 32.274 51.275 1.00 16.03 O ATOM 209 CG2 THR 229 -13.895 31.725 52.339 1.00 16.03 C ATOM 210 C THR 229 -12.620 31.465 48.776 1.00 16.03 C ATOM 211 O THR 229 -12.641 32.679 48.438 1.00 16.03 O ATOM 212 OXT THR 229 -11.986 30.571 48.155 1.00 16.03 O