EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:26 REMARK 6 MODELLER OBJECTIVE FUNCTION: 101.1428 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1730.40369 REMARK 6 GA341 score: 0.94149 REMARK 6 Normalized DOPE score: -0.47729 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 48.0% ATOM 1 N GLU 286 2.140 24.508 58.821 1.00 58.92 N ATOM 2 CA GLU 286 0.952 24.188 57.996 1.00 58.92 C ATOM 3 CB GLU 286 0.659 22.682 58.025 1.00 58.92 C ATOM 4 CG GLU 286 0.288 22.176 59.422 1.00 58.92 C ATOM 5 CD GLU 286 -0.186 20.735 59.297 1.00 58.92 C ATOM 6 OE1 GLU 286 -0.096 20.178 58.169 1.00 58.92 O ATOM 7 OE2 GLU 286 -0.646 20.174 60.326 1.00 58.92 O ATOM 8 C GLU 286 -0.266 24.866 58.529 1.00 58.92 C ATOM 9 O GLU 286 -0.512 24.862 59.732 1.00 58.92 O ATOM 10 N ARG 287 -1.050 25.496 57.632 1.00 83.04 N ATOM 11 CA ARG 287 -2.266 26.112 58.072 1.00 83.04 C ATOM 12 CB ARG 287 -2.263 27.639 57.887 1.00 83.04 C ATOM 13 CG ARG 287 -1.100 28.328 58.607 1.00 83.04 C ATOM 14 CD ARG 287 -1.005 29.831 58.338 1.00 83.04 C ATOM 15 NE ARG 287 0.297 30.302 58.890 1.00 83.04 N ATOM 16 CZ ARG 287 0.817 31.498 58.483 1.00 83.04 C ATOM 17 NH1 ARG 287 0.124 32.278 57.603 1.00 83.04 N ATOM 18 NH2 ARG 287 2.030 31.912 58.950 1.00 83.04 N ATOM 19 C ARG 287 -3.345 25.565 57.193 1.00 83.04 C ATOM 20 O ARG 287 -3.511 25.988 56.050 1.00 83.04 O ATOM 21 N PRO 288 -4.076 24.622 57.707 1.00111.49 N ATOM 22 CA PRO 288 -5.128 23.998 56.953 1.00111.49 C ATOM 23 CD PRO 288 -3.552 23.744 58.740 1.00111.49 C ATOM 24 CB PRO 288 -5.434 22.676 57.666 1.00111.49 C ATOM 25 CG PRO 288 -4.709 22.776 59.021 1.00111.49 C ATOM 26 C PRO 288 -6.340 24.847 56.728 1.00111.49 C ATOM 27 O PRO 288 -7.109 24.531 55.821 1.00111.49 O ATOM 28 N PHE 289 -6.550 25.917 57.516 1.00 60.91 N ATOM 29 CA PHE 289 -7.789 26.627 57.368 1.00 60.91 C ATOM 30 CB PHE 289 -8.417 26.988 58.724 1.00 60.91 C ATOM 31 CG PHE 289 -8.552 25.710 59.479 1.00 60.91 C ATOM 32 CD1 PHE 289 -9.565 24.822 59.201 1.00 60.91 C ATOM 33 CD2 PHE 289 -7.655 25.403 60.477 1.00 60.91 C ATOM 34 CE1 PHE 289 -9.674 23.645 59.904 1.00 60.91 C ATOM 35 CE2 PHE 289 -7.759 24.227 61.184 1.00 60.91 C ATOM 36 CZ PHE 289 -8.772 23.344 60.897 1.00 60.91 C ATOM 37 C PHE 289 -7.535 27.915 56.652 1.00 60.91 C ATOM 38 O PHE 289 -6.779 28.757 57.130 1.00 60.91 O ATOM 39 N MET 290 -8.195 28.118 55.490 1.00 98.26 N ATOM 40 CA MET 290 -7.974 29.334 54.759 1.00 98.26 C ATOM 41 CB MET 290 -7.534 29.139 53.300 1.00 98.26 C ATOM 42 CG MET 290 -6.103 28.630 53.154 1.00 98.26 C ATOM 43 SD MET 290 -5.513 28.537 51.439 1.00 98.26 S ATOM 44 CE MET 290 -6.597 27.150 50.998 1.00 98.26 C ATOM 45 C MET 290 -9.239 30.127 54.709 1.00 98.26 C ATOM 46 O MET 290 -10.336 29.580 54.602 1.00 98.26 O ATOM 47 N CYS 291 -9.095 31.464 54.804 1.00 46.91 N ATOM 48 CA CYS 291 -10.219 32.354 54.739 1.00 46.91 C ATOM 49 CB CYS 291 -9.896 33.767 55.252 1.00 46.91 C ATOM 50 SG CYS 291 -11.330 34.878 55.223 1.00 46.91 S ATOM 51 C CYS 291 -10.627 32.463 53.305 1.00 46.91 C ATOM 52 O CYS 291 -9.797 32.677 52.423 1.00 46.91 O ATOM 53 N THR 292 -11.936 32.319 53.029 1.00 39.97 N ATOM 54 CA THR 292 -12.383 32.370 51.670 1.00 39.97 C ATOM 55 CB THR 292 -13.843 32.043 51.520 1.00 39.97 C ATOM 56 OG1 THR 292 -14.107 30.745 52.029 1.00 39.97 O ATOM 57 CG2 THR 292 -14.217 32.112 50.029 1.00 39.97 C ATOM 58 C THR 292 -12.141 33.738 51.115 1.00 39.97 C ATOM 59 O THR 292 -11.686 33.867 49.978 1.00 39.97 O ATOM 60 N PRO 293 -12.465 34.777 51.841 1.00136.41 N ATOM 61 CA PRO 293 -12.254 36.098 51.324 1.00136.41 C ATOM 62 CD PRO 293 -13.532 34.752 52.826 1.00136.41 C ATOM 63 CB PRO 293 -13.067 37.049 52.210 1.00136.41 C ATOM 64 CG PRO 293 -13.533 36.179 53.392 1.00136.41 C ATOM 65 C PRO 293 -10.847 36.551 51.068 1.00136.41 C ATOM 66 O PRO 293 -10.511 36.827 49.916 1.00136.41 O ATOM 67 N CYS 294 -10.033 36.654 52.140 1.00 59.56 N ATOM 68 CA CYS 294 -8.681 37.141 52.078 1.00 59.56 C ATOM 69 CB CYS 294 -8.159 37.616 53.444 1.00 59.56 C ATOM 70 SG CYS 294 -8.174 36.304 54.699 1.00 59.56 S ATOM 71 C CYS 294 -7.731 36.123 51.529 1.00 59.56 C ATOM 72 O CYS 294 -6.835 36.457 50.755 1.00 59.56 O ATOM 73 N GLY 295 -7.902 34.844 51.911 1.00 27.10 N ATOM 74 CA GLY 295 -6.980 33.841 51.467 1.00 27.10 C ATOM 75 C GLY 295 -5.945 33.617 52.534 1.00 27.10 C ATOM 76 O GLY 295 -4.995 32.863 52.327 1.00 27.10 O ATOM 77 N LYS 296 -6.100 34.267 53.706 1.00 55.44 N ATOM 78 CA LYS 296 -5.166 34.102 54.790 1.00 55.44 C ATOM 79 CB LYS 296 -5.342 35.150 55.904 1.00 55.44 C ATOM 80 CG LYS 296 -4.220 35.159 56.946 1.00 55.44 C ATOM 81 CD LYS 296 -4.215 36.427 57.805 1.00 55.44 C ATOM 82 CE LYS 296 -3.097 36.473 58.849 1.00 55.44 C ATOM 83 NZ LYS 296 -3.161 37.744 59.603 1.00 55.44 N ATOM 84 C LYS 296 -5.379 32.741 55.386 1.00 55.44 C ATOM 85 O LYS 296 -6.509 32.263 55.473 1.00 55.44 O ATOM 86 N SER 297 -4.284 32.082 55.829 1.00 52.78 N ATOM 87 CA SER 297 -4.394 30.739 56.334 1.00 52.78 C ATOM 88 CB SER 297 -3.390 29.769 55.686 1.00 52.78 C ATOM 89 OG SER 297 -3.659 29.639 54.298 1.00 52.78 O ATOM 90 C SER 297 -4.130 30.731 57.809 1.00 52.78 C ATOM 91 O SER 297 -3.412 31.585 58.327 1.00 52.78 O ATOM 92 N PHE 298 -4.719 29.746 58.528 1.00136.15 N ATOM 93 CA PHE 298 -4.572 29.690 59.958 1.00136.15 C ATOM 94 CB PHE 298 -5.845 30.117 60.707 1.00136.15 C ATOM 95 CG PHE 298 -6.059 31.568 60.458 1.00136.15 C ATOM 96 CD1 PHE 298 -6.740 31.992 59.340 1.00136.15 C ATOM 97 CD2 PHE 298 -5.566 32.502 61.338 1.00136.15 C ATOM 98 CE1 PHE 298 -6.934 33.332 59.106 1.00136.15 C ATOM 99 CE2 PHE 298 -5.756 33.844 61.112 1.00136.15 C ATOM 100 CZ PHE 298 -6.442 34.257 59.995 1.00136.15 C ATOM 101 C PHE 298 -4.280 28.288 60.391 1.00136.15 C ATOM 102 O PHE 298 -4.686 27.315 59.760 1.00136.15 O ATOM 103 N SER 299 -3.534 28.175 61.508 1.00 75.47 N ATOM 104 CA SER 299 -3.178 26.918 62.094 1.00 75.47 C ATOM 105 CB SER 299 -2.119 27.069 63.196 1.00 75.47 C ATOM 106 OG SER 299 -1.809 25.796 63.741 1.00 75.47 O ATOM 107 C SER 299 -4.389 26.294 62.719 1.00 75.47 C ATOM 108 O SER 299 -4.507 25.070 62.761 1.00 75.47 O ATOM 109 N GLN 300 -5.332 27.115 63.228 1.00 88.69 N ATOM 110 CA GLN 300 -6.448 26.516 63.901 1.00 88.69 C ATOM 111 CB GLN 300 -6.381 26.675 65.427 1.00 88.69 C ATOM 112 CG GLN 300 -6.383 28.127 65.907 1.00 88.69 C ATOM 113 CD GLN 300 -6.134 28.106 67.408 1.00 88.69 C ATOM 114 OE1 GLN 300 -5.936 27.045 67.997 1.00 88.69 O ATOM 115 NE2 GLN 300 -6.139 29.307 68.048 1.00 88.69 N ATOM 116 C GLN 300 -7.745 27.081 63.409 1.00 88.69 C ATOM 117 O GLN 300 -7.838 28.232 62.985 1.00 88.69 O ATOM 118 N LEU 301 -8.793 26.231 63.469 1.00 73.95 N ATOM 119 CA LEU 301 -10.120 26.530 63.010 1.00 73.95 C ATOM 120 CB LEU 301 -11.079 25.336 63.148 1.00 73.95 C ATOM 121 CG LEU 301 -12.512 25.633 62.670 1.00 73.95 C ATOM 122 CD1 LEU 301 -12.560 25.955 61.168 1.00 73.95 C ATOM 123 CD2 LEU 301 -13.470 24.501 63.070 1.00 73.95 C ATOM 124 C LEU 301 -10.701 27.648 63.808 1.00 73.95 C ATOM 125 O LEU 301 -11.340 28.542 63.256 1.00 73.95 O ATOM 126 N SER 302 -10.492 27.636 65.136 1.00 67.03 N ATOM 127 CA SER 302 -11.090 28.631 65.975 1.00 67.03 C ATOM 128 CB SER 302 -10.792 28.410 67.468 1.00 67.03 C ATOM 129 OG SER 302 -11.404 27.207 67.908 1.00 67.03 O ATOM 130 C SER 302 -10.575 29.983 65.599 1.00 67.03 C ATOM 131 O SER 302 -11.336 30.949 65.574 1.00 67.03 O ATOM 132 N SER 303 -9.266 30.088 65.295 1.00 26.14 N ATOM 133 CA SER 303 -8.689 31.360 64.957 1.00 26.14 C ATOM 134 CB SER 303 -7.161 31.307 64.774 1.00 26.14 C ATOM 135 OG SER 303 -6.523 31.043 66.015 1.00 26.14 O ATOM 136 C SER 303 -9.278 31.834 63.666 1.00 26.14 C ATOM 137 O SER 303 -9.521 33.024 63.482 1.00 26.14 O ATOM 138 N PHE 304 -9.532 30.893 62.742 1.00 51.76 N ATOM 139 CA PHE 304 -10.077 31.179 61.448 1.00 51.76 C ATOM 140 CB PHE 304 -10.263 29.862 60.676 1.00 51.76 C ATOM 141 CG PHE 304 -10.959 30.106 59.388 1.00 51.76 C ATOM 142 CD1 PHE 304 -10.257 30.542 58.293 1.00 51.76 C ATOM 143 CD2 PHE 304 -12.312 29.877 59.277 1.00 51.76 C ATOM 144 CE1 PHE 304 -10.908 30.758 57.106 1.00 51.76 C ATOM 145 CE2 PHE 304 -12.966 30.093 58.088 1.00 51.76 C ATOM 146 CZ PHE 304 -12.261 30.539 56.998 1.00 51.76 C ATOM 147 C PHE 304 -11.422 31.816 61.623 1.00 51.76 C ATOM 148 O PHE 304 -11.718 32.853 61.027 1.00 51.76 O ATOM 149 N ASN 305 -12.264 31.219 62.483 1.00 28.99 N ATOM 150 CA ASN 305 -13.605 31.694 62.663 1.00 28.99 C ATOM 151 CB ASN 305 -14.415 30.844 63.653 1.00 28.99 C ATOM 152 CG ASN 305 -14.678 29.500 62.993 1.00 28.99 C ATOM 153 OD1 ASN 305 -14.622 29.369 61.772 1.00 28.99 O ATOM 154 ND2 ASN 305 -14.982 28.469 63.827 1.00 28.99 N ATOM 155 C ASN 305 -13.578 33.091 63.188 1.00 28.99 C ATOM 156 O ASN 305 -14.353 33.940 62.753 1.00 28.99 O ATOM 157 N GLN 306 -12.673 33.369 64.140 1.00 28.18 N ATOM 158 CA GLN 306 -12.603 34.677 64.722 1.00 28.18 C ATOM 159 CB GLN 306 -11.548 34.746 65.838 1.00 28.18 C ATOM 160 CG GLN 306 -11.843 33.770 66.981 1.00 28.18 C ATOM 161 CD GLN 306 -10.726 33.869 68.005 1.00 28.18 C ATOM 162 OE1 GLN 306 -10.059 34.896 68.120 1.00 28.18 O ATOM 163 NE2 GLN 306 -10.513 32.767 68.772 1.00 28.18 N ATOM 164 C GLN 306 -12.223 35.647 63.646 1.00 28.18 C ATOM 165 O GLN 306 -12.762 36.751 63.568 1.00 28.18 O ATOM 166 N HIS 307 -11.288 35.239 62.769 1.00 41.39 N ATOM 167 CA HIS 307 -10.810 36.089 61.717 1.00 41.39 C ATOM 168 ND1 HIS 307 -8.334 37.312 59.895 1.00 41.39 N ATOM 169 CG HIS 307 -9.223 36.271 59.745 1.00 41.39 C ATOM 170 CB HIS 307 -9.719 35.412 60.869 1.00 41.39 C ATOM 171 NE2 HIS 307 -8.830 37.209 57.730 1.00 41.39 N ATOM 172 CD2 HIS 307 -9.516 36.222 58.416 1.00 41.39 C ATOM 173 CE1 HIS 307 -8.134 37.837 58.660 1.00 41.39 C ATOM 174 C HIS 307 -11.940 36.434 60.800 1.00 41.39 C ATOM 175 O HIS 307 -12.085 37.583 60.389 1.00 41.39 O ATOM 176 N MET 308 -12.781 35.441 60.460 1.00 63.95 N ATOM 177 CA MET 308 -13.856 35.686 59.547 1.00 63.95 C ATOM 178 CB MET 308 -14.668 34.419 59.214 1.00 63.95 C ATOM 179 CG MET 308 -15.632 34.613 58.042 1.00 63.95 C ATOM 180 SD MET 308 -16.489 33.101 57.510 1.00 63.95 S ATOM 181 CE MET 308 -17.633 33.048 58.918 1.00 63.95 C ATOM 182 C MET 308 -14.785 36.675 60.173 1.00 63.95 C ATOM 183 O MET 308 -15.326 37.549 59.497 1.00 63.95 O ATOM 184 N ARG 309 -14.973 36.566 61.499 1.00 67.77 N ATOM 185 CA ARG 309 -15.897 37.384 62.226 1.00 67.77 C ATOM 186 CB ARG 309 -15.907 37.053 63.729 1.00 67.77 C ATOM 187 CG ARG 309 -16.468 35.662 64.037 1.00 67.77 C ATOM 188 CD ARG 309 -16.389 35.241 65.510 1.00 67.77 C ATOM 189 NE ARG 309 -17.173 36.219 66.316 1.00 67.77 N ATOM 190 CZ ARG 309 -16.532 37.193 67.028 1.00 67.77 C ATOM 191 NH1 ARG 309 -15.169 37.261 67.024 1.00 67.77 N ATOM 192 NH2 ARG 309 -17.255 38.097 67.750 1.00 67.77 N ATOM 193 C ARG 309 -15.510 38.819 62.084 1.00 67.77 C ATOM 194 O ARG 309 -16.372 39.675 61.895 1.00 67.77 O ATOM 195 N ILE 310 -14.204 39.132 62.167 1.00132.73 N ATOM 196 CA ILE 310 -13.826 40.509 62.081 1.00132.73 C ATOM 197 CB ILE 310 -12.376 40.751 62.459 1.00132.73 C ATOM 198 CG1 ILE 310 -12.085 42.255 62.658 1.00132.73 C ATOM 199 CG2 ILE 310 -11.443 40.021 61.475 1.00132.73 C ATOM 200 CD1 ILE 310 -12.222 43.115 61.402 1.00132.73 C ATOM 201 C ILE 310 -14.176 41.041 60.688 1.00132.73 C ATOM 202 O ILE 310 -13.340 40.957 59.751 1.00132.73 O ATOM 203 OXT ILE 310 -15.318 41.556 60.550 1.00132.73 O