EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:29 REMARK 6 MODELLER OBJECTIVE FUNCTION: 96.4552 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1411.85083 REMARK 6 GA341 score: 0.98019 REMARK 6 Normalized DOPE score: -1.70919 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 219 -14.126 20.189 45.439 1.00 31.64 N ATOM 2 CA GLU 219 -15.095 20.150 46.558 1.00 31.64 C ATOM 3 CB GLU 219 -15.063 18.764 47.233 1.00 31.64 C ATOM 4 CG GLU 219 -16.156 18.534 48.279 1.00 31.64 C ATOM 5 CD GLU 219 -15.890 17.184 48.932 1.00 31.64 C ATOM 6 OE1 GLU 219 -14.734 16.959 49.377 1.00 31.64 O ATOM 7 OE2 GLU 219 -16.842 16.361 48.999 1.00 31.64 O ATOM 8 C GLU 219 -14.737 21.189 47.570 1.00 31.64 C ATOM 9 O GLU 219 -13.787 21.948 47.390 1.00 31.64 O ATOM 10 N LYS 220 -15.522 21.259 48.660 1.00116.13 N ATOM 11 CA LYS 220 -15.255 22.198 49.707 1.00116.13 C ATOM 12 CB LYS 220 -16.536 22.890 50.195 1.00116.13 C ATOM 13 CG LYS 220 -17.442 23.383 49.063 1.00116.13 C ATOM 14 CD LYS 220 -16.822 24.447 48.159 1.00116.13 C ATOM 15 CE LYS 220 -17.754 24.878 47.023 1.00116.13 C ATOM 16 NZ LYS 220 -17.152 25.987 46.252 1.00116.13 N ATOM 17 C LYS 220 -14.794 21.357 50.855 1.00116.13 C ATOM 18 O LYS 220 -15.606 20.816 51.603 1.00116.13 O ATOM 19 N PRO 221 -13.511 21.224 51.012 1.00117.98 N ATOM 20 CA PRO 221 -12.975 20.390 52.051 1.00117.98 C ATOM 21 CD PRO 221 -12.596 21.347 49.891 1.00117.98 C ATOM 22 CB PRO 221 -11.515 20.124 51.673 1.00117.98 C ATOM 23 CG PRO 221 -11.218 21.102 50.522 1.00117.98 C ATOM 24 C PRO 221 -13.145 20.916 53.440 1.00117.98 C ATOM 25 O PRO 221 -13.048 20.127 54.378 1.00117.98 O ATOM 26 N TYR 222 -13.405 22.223 53.616 1.00 65.75 N ATOM 27 CA TYR 222 -13.440 22.714 54.963 1.00 65.75 C ATOM 28 CB TYR 222 -12.624 24.002 55.156 1.00 65.75 C ATOM 29 CG TYR 222 -11.213 23.652 54.843 1.00 65.75 C ATOM 30 CD1 TYR 222 -10.428 23.021 55.780 1.00 65.75 C ATOM 31 CD2 TYR 222 -10.677 23.949 53.612 1.00 65.75 C ATOM 32 CE1 TYR 222 -9.124 22.693 55.494 1.00 65.75 C ATOM 33 CE2 TYR 222 -9.373 23.623 53.320 1.00 65.75 C ATOM 34 CZ TYR 222 -8.595 22.991 54.261 1.00 65.75 C ATOM 35 OH TYR 222 -7.258 22.654 53.963 1.00 65.75 O ATOM 36 C TYR 222 -14.852 23.019 55.343 1.00 65.75 C ATOM 37 O TYR 222 -15.516 23.844 54.717 1.00 65.75 O ATOM 38 N ARG 223 -15.337 22.356 56.413 1.00121.12 N ATOM 39 CA ARG 223 -16.698 22.520 56.835 1.00121.12 C ATOM 40 CB ARG 223 -17.431 21.169 56.926 1.00121.12 C ATOM 41 CG ARG 223 -18.887 21.250 57.377 1.00121.12 C ATOM 42 CD ARG 223 -19.622 19.916 57.221 1.00121.12 C ATOM 43 NE ARG 223 -18.925 18.908 58.072 1.00121.12 N ATOM 44 CZ ARG 223 -19.334 18.695 59.355 1.00121.12 C ATOM 45 NH1 ARG 223 -20.391 19.401 59.857 1.00121.12 N ATOM 46 NH2 ARG 223 -18.704 17.773 60.141 1.00121.12 N ATOM 47 C ARG 223 -16.713 23.161 58.189 1.00121.12 C ATOM 48 O ARG 223 -15.956 22.776 59.080 1.00121.12 O ATOM 49 N CYS 224 -17.574 24.186 58.362 1.00 46.12 N ATOM 50 CA CYS 224 -17.680 24.869 59.621 1.00 46.12 C ATOM 51 CB CYS 224 -18.348 26.251 59.505 1.00 46.12 C ATOM 52 SG CYS 224 -18.473 27.117 61.098 1.00 46.12 S ATOM 53 C CYS 224 -18.499 24.022 60.539 1.00 46.12 C ATOM 54 O CYS 224 -19.591 23.576 60.191 1.00 46.12 O ATOM 55 N THR 225 -17.992 23.791 61.762 1.00112.19 N ATOM 56 CA THR 225 -18.666 22.931 62.686 1.00112.19 C ATOM 57 CB THR 225 -17.882 22.712 63.948 1.00112.19 C ATOM 58 OG1 THR 225 -18.579 21.814 64.798 1.00112.19 O ATOM 59 CG2 THR 225 -17.659 24.060 64.657 1.00112.19 C ATOM 60 C THR 225 -19.999 23.494 63.066 1.00112.19 C ATOM 61 O THR 225 -20.986 22.761 63.118 1.00112.19 O ATOM 62 N GLU 226 -20.071 24.800 63.384 1.00 74.71 N ATOM 63 CA GLU 226 -21.340 25.285 63.841 1.00 74.71 C ATOM 64 CB GLU 226 -21.254 26.665 64.507 1.00 74.71 C ATOM 65 CG GLU 226 -22.556 27.046 65.212 1.00 74.71 C ATOM 66 CD GLU 226 -22.421 28.471 65.713 1.00 74.71 C ATOM 67 OE1 GLU 226 -22.391 29.385 64.850 1.00 74.71 O ATOM 68 OE2 GLU 226 -22.343 28.667 66.957 1.00 74.71 O ATOM 69 C GLU 226 -22.376 25.392 62.758 1.00 74.71 C ATOM 70 O GLU 226 -23.431 24.762 62.843 1.00 74.71 O ATOM 71 N CYS 227 -22.093 26.210 61.718 1.00 58.23 N ATOM 72 CA CYS 227 -23.036 26.501 60.666 1.00 58.23 C ATOM 73 CB CYS 227 -22.669 27.768 59.872 1.00 58.23 C ATOM 74 SG CYS 227 -21.091 27.620 58.987 1.00 58.23 S ATOM 75 C CYS 227 -23.207 25.367 59.699 1.00 58.23 C ATOM 76 O CYS 227 -24.322 25.072 59.271 1.00 58.23 O ATOM 77 N GLY 228 -22.107 24.690 59.322 1.00 28.04 N ATOM 78 CA GLY 228 -22.217 23.613 58.378 1.00 28.04 C ATOM 79 C GLY 228 -21.841 24.100 57.007 1.00 28.04 C ATOM 80 O GLY 228 -21.878 23.330 56.048 1.00 28.04 O ATOM 81 N LYS 229 -21.467 25.390 56.870 1.00 54.05 N ATOM 82 CA LYS 229 -21.096 25.915 55.583 1.00 54.05 C ATOM 83 CB LYS 229 -21.027 27.455 55.540 1.00 54.05 C ATOM 84 CG LYS 229 -20.729 28.028 54.149 1.00 54.05 C ATOM 85 CD LYS 229 -20.996 29.532 54.030 1.00 54.05 C ATOM 86 CE LYS 229 -20.653 30.115 52.658 1.00 54.05 C ATOM 87 NZ LYS 229 -20.906 31.574 52.647 1.00 54.05 N ATOM 88 C LYS 229 -19.746 25.368 55.218 1.00 54.05 C ATOM 89 O LYS 229 -18.889 25.178 56.079 1.00 54.05 O ATOM 90 N SER 230 -19.523 25.097 53.912 1.00 55.13 N ATOM 91 CA SER 230 -18.273 24.517 53.497 1.00 55.13 C ATOM 92 CB SER 230 -18.439 23.239 52.655 1.00 55.13 C ATOM 93 OG SER 230 -19.054 22.216 53.425 1.00 55.13 O ATOM 94 C SER 230 -17.527 25.515 52.661 1.00 55.13 C ATOM 95 O SER 230 -18.127 26.357 51.995 1.00 55.13 O ATOM 96 N PHE 231 -16.177 25.443 52.688 1.00142.82 N ATOM 97 CA PHE 231 -15.373 26.398 51.971 1.00142.82 C ATOM 98 CB PHE 231 -14.611 27.356 52.900 1.00142.82 C ATOM 99 CG PHE 231 -15.595 28.198 53.628 1.00142.82 C ATOM 100 CD1 PHE 231 -16.166 27.737 54.792 1.00142.82 C ATOM 101 CD2 PHE 231 -15.949 29.437 53.147 1.00142.82 C ATOM 102 CE1 PHE 231 -17.077 28.507 55.474 1.00142.82 C ATOM 103 CE2 PHE 231 -16.859 30.212 53.827 1.00142.82 C ATOM 104 CZ PHE 231 -17.422 29.747 54.991 1.00142.82 C ATOM 105 C PHE 231 -14.310 25.688 51.192 1.00142.82 C ATOM 106 O PHE 231 -13.795 24.641 51.585 1.00142.82 O ATOM 107 N PRO 232 -14.008 26.242 50.053 1.00152.72 N ATOM 108 CA PRO 232 -12.927 25.728 49.259 1.00152.72 C ATOM 109 CD PRO 232 -15.061 26.814 49.230 1.00152.72 C ATOM 110 CB PRO 232 -13.130 26.288 47.856 1.00152.72 C ATOM 111 CG PRO 232 -14.645 26.529 47.780 1.00152.72 C ATOM 112 C PRO 232 -11.595 26.080 49.850 1.00152.72 C ATOM 113 O PRO 232 -10.617 25.408 49.526 1.00152.72 O ATOM 114 N ASN 233 -11.531 27.122 50.709 1.00 58.24 N ATOM 115 CA ASN 233 -10.254 27.570 51.192 1.00 58.24 C ATOM 116 CB ASN 233 -9.973 29.046 50.859 1.00 58.24 C ATOM 117 CG ASN 233 -10.080 29.243 49.353 1.00 58.24 C ATOM 118 OD1 ASN 233 -10.692 30.202 48.888 1.00 58.24 O ATOM 119 ND2 ASN 233 -9.476 28.314 48.564 1.00 58.24 N ATOM 120 C ASN 233 -10.224 27.473 52.686 1.00 58.24 C ATOM 121 O ASN 233 -11.189 27.809 53.371 1.00 58.24 O ATOM 122 N LYS 234 -9.079 27.011 53.226 1.00 72.01 N ATOM 123 CA LYS 234 -8.890 26.851 54.638 1.00 72.01 C ATOM 124 CB LYS 234 -7.533 26.205 54.973 1.00 72.01 C ATOM 125 CG LYS 234 -7.470 25.587 56.372 1.00 72.01 C ATOM 126 CD LYS 234 -6.287 24.634 56.560 1.00 72.01 C ATOM 127 CE LYS 234 -6.398 23.738 57.796 1.00 72.01 C ATOM 128 NZ LYS 234 -6.561 24.563 59.013 1.00 72.01 N ATOM 129 C LYS 234 -8.927 28.201 55.287 1.00 72.01 C ATOM 130 O LYS 234 -9.522 28.370 56.350 1.00 72.01 O ATOM 131 N SER 235 -8.296 29.205 54.648 1.00 68.32 N ATOM 132 CA SER 235 -8.204 30.520 55.216 1.00 68.32 C ATOM 133 CB SER 235 -7.376 31.487 54.353 1.00 68.32 C ATOM 134 OG SER 235 -6.028 31.045 54.285 1.00 68.32 O ATOM 135 C SER 235 -9.570 31.110 55.363 1.00 68.32 C ATOM 136 O SER 235 -9.860 31.753 56.371 1.00 68.32 O ATOM 137 N THR 236 -10.450 30.905 54.364 1.00 95.47 N ATOM 138 CA THR 236 -11.761 31.485 54.437 1.00 95.47 C ATOM 139 CB THR 236 -12.601 31.237 53.218 1.00 95.47 C ATOM 140 OG1 THR 236 -12.824 29.845 53.050 1.00 95.47 O ATOM 141 CG2 THR 236 -11.886 31.819 51.989 1.00 95.47 C ATOM 142 C THR 236 -12.484 30.887 55.599 1.00 95.47 C ATOM 143 O THR 236 -13.162 31.587 56.348 1.00 95.47 O ATOM 144 N PHE 237 -12.345 29.563 55.784 1.00 98.79 N ATOM 145 CA PHE 237 -13.009 28.870 56.848 1.00 98.79 C ATOM 146 CB PHE 237 -12.704 27.359 56.812 1.00 98.79 C ATOM 147 CG PHE 237 -13.167 26.721 58.076 1.00 98.79 C ATOM 148 CD1 PHE 237 -12.324 26.657 59.162 1.00 98.79 C ATOM 149 CD2 PHE 237 -14.427 26.180 58.180 1.00 98.79 C ATOM 150 CE1 PHE 237 -12.728 26.070 60.336 1.00 98.79 C ATOM 151 CE2 PHE 237 -14.836 25.592 59.353 1.00 98.79 C ATOM 152 CZ PHE 237 -13.989 25.536 60.433 1.00 98.79 C ATOM 153 C PHE 237 -12.540 29.417 58.160 1.00 98.79 C ATOM 154 O PHE 237 -13.341 29.695 59.052 1.00 98.79 O ATOM 155 N ASN 238 -11.220 29.615 58.297 1.00 84.44 N ATOM 156 CA ASN 238 -10.648 30.028 59.545 1.00 84.44 C ATOM 157 CB ASN 238 -9.128 30.247 59.412 1.00 84.44 C ATOM 158 CG ASN 238 -8.487 30.380 60.787 1.00 84.44 C ATOM 159 OD1 ASN 238 -7.649 29.565 61.166 1.00 84.44 O ATOM 160 ND2 ASN 238 -8.873 31.438 61.549 1.00 84.44 N ATOM 161 C ASN 238 -11.264 31.323 59.968 1.00 84.44 C ATOM 162 O ASN 238 -11.713 31.463 61.105 1.00 84.44 O ATOM 163 N ASN 239 -11.314 32.312 59.061 1.00 34.01 N ATOM 164 CA ASN 239 -11.858 33.588 59.424 1.00 34.01 C ATOM 165 CB ASN 239 -11.620 34.674 58.363 1.00 34.01 C ATOM 166 CG ASN 239 -10.146 35.052 58.439 1.00 34.01 C ATOM 167 OD1 ASN 239 -9.453 34.705 59.395 1.00 34.01 O ATOM 168 ND2 ASN 239 -9.650 35.791 57.409 1.00 34.01 N ATOM 169 C ASN 239 -13.330 33.472 59.669 1.00 34.01 C ATOM 170 O ASN 239 -13.863 34.098 60.584 1.00 34.01 O ATOM 171 N HIS 240 -14.019 32.641 58.866 1.00 44.19 N ATOM 172 CA HIS 240 -15.446 32.524 58.953 1.00 44.19 C ATOM 173 ND1 HIS 240 -18.327 32.412 57.267 1.00 44.19 N ATOM 174 CG HIS 240 -17.530 31.489 57.909 1.00 44.19 C ATOM 175 CB HIS 240 -16.028 31.533 57.927 1.00 44.19 C ATOM 176 NE2 HIS 240 -19.698 30.929 58.200 1.00 44.19 N ATOM 177 CD2 HIS 240 -18.383 30.591 58.474 1.00 44.19 C ATOM 178 CE1 HIS 240 -19.614 32.028 57.473 1.00 44.19 C ATOM 179 C HIS 240 -15.820 32.045 60.317 1.00 44.19 C ATOM 180 O HIS 240 -16.772 32.554 60.907 1.00 44.19 O ATOM 181 N MET 241 -15.066 31.062 60.850 1.00 93.11 N ATOM 182 CA MET 241 -15.338 30.475 62.134 1.00 93.11 C ATOM 183 CB MET 241 -14.172 29.625 62.672 1.00 93.11 C ATOM 184 CG MET 241 -14.517 28.852 63.948 1.00 93.11 C ATOM 185 SD MET 241 -13.114 27.996 64.728 1.00 93.11 S ATOM 186 CE MET 241 -12.317 29.517 65.321 1.00 93.11 C ATOM 187 C MET 241 -15.621 31.550 63.173 1.00 93.11 C ATOM 188 O MET 241 -14.638 32.087 63.747 1.00 93.11 O ATOM 189 OXT MET 241 -16.823 31.838 63.418 1.00 93.11 O