EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:43 REMARK 6 MODELLER OBJECTIVE FUNCTION: 86.8875 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1415.70215 REMARK 6 GA341 score: 0.97099 REMARK 6 Normalized DOPE score: -0.73241 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N GLU 289 -11.167 16.561 50.712 1.00 58.62 N ATOM 2 CA GLU 289 -12.429 16.844 51.427 1.00 58.62 C ATOM 3 CB GLU 289 -12.471 16.090 52.760 1.00 58.62 C ATOM 4 CG GLU 289 -12.529 14.569 52.621 1.00 58.62 C ATOM 5 CD GLU 289 -12.570 13.982 54.020 1.00 58.62 C ATOM 6 OE1 GLU 289 -11.839 14.512 54.899 1.00 58.62 O ATOM 7 OE2 GLU 289 -13.322 12.992 54.226 1.00 58.62 O ATOM 8 C GLU 289 -12.520 18.299 51.745 1.00 58.62 C ATOM 9 O GLU 289 -11.743 19.109 51.242 1.00 58.62 O ATOM 10 N LYS 290 -13.507 18.672 52.585 1.00 54.01 N ATOM 11 CA LYS 290 -13.640 20.048 52.967 1.00 54.01 C ATOM 12 CB LYS 290 -14.984 20.647 52.536 1.00 54.01 C ATOM 13 CG LYS 290 -15.171 20.637 51.020 1.00 54.01 C ATOM 14 CD LYS 290 -16.613 20.871 50.574 1.00 54.01 C ATOM 15 CE LYS 290 -16.774 20.845 49.054 1.00 54.01 C ATOM 16 NZ LYS 290 -18.206 20.869 48.681 1.00 54.01 N ATOM 17 C LYS 290 -13.588 20.091 54.462 1.00 54.01 C ATOM 18 O LYS 290 -14.597 19.943 55.147 1.00 54.01 O ATOM 19 N PRO 291 -12.403 20.282 54.961 1.00110.97 N ATOM 20 CA PRO 291 -12.177 20.305 56.382 1.00110.97 C ATOM 21 CD PRO 291 -11.249 19.779 54.237 1.00110.97 C ATOM 22 CB PRO 291 -10.668 20.155 56.562 1.00110.97 C ATOM 23 CG PRO 291 -10.230 19.376 55.311 1.00110.97 C ATOM 24 C PRO 291 -12.734 21.465 57.146 1.00110.97 C ATOM 25 O PRO 291 -12.989 21.295 58.336 1.00110.97 O ATOM 26 N PHE 292 -12.931 22.645 56.527 1.00 61.64 N ATOM 27 CA PHE 292 -13.351 23.739 57.356 1.00 61.64 C ATOM 28 CB PHE 292 -12.540 25.028 57.138 1.00 61.64 C ATOM 29 CG PHE 292 -11.173 24.740 57.667 1.00 61.64 C ATOM 30 CD1 PHE 292 -10.920 24.807 59.018 1.00 61.64 C ATOM 31 CD2 PHE 292 -10.141 24.402 56.822 1.00 61.64 C ATOM 32 CE1 PHE 292 -9.664 24.540 59.511 1.00 61.64 C ATOM 33 CE2 PHE 292 -8.883 24.132 57.307 1.00 61.64 C ATOM 34 CZ PHE 292 -8.641 24.208 58.656 1.00 61.64 C ATOM 35 C PHE 292 -14.797 24.019 57.130 1.00 61.64 C ATOM 36 O PHE 292 -15.252 24.195 56.000 1.00 61.64 O ATOM 37 N THR 293 -15.565 24.073 58.235 1.00102.50 N ATOM 38 CA THR 293 -16.974 24.285 58.123 1.00102.50 C ATOM 39 CB THR 293 -17.784 23.222 58.795 1.00102.50 C ATOM 40 OG1 THR 293 -19.166 23.436 58.550 1.00102.50 O ATOM 41 CG2 THR 293 -17.493 23.283 60.305 1.00102.50 C ATOM 42 C THR 293 -17.331 25.585 58.776 1.00102.50 C ATOM 43 O THR 293 -16.734 25.993 59.772 1.00102.50 O ATOM 44 N CYS 294 -18.322 26.280 58.186 1.00 45.31 N ATOM 45 CA CYS 294 -18.818 27.523 58.702 1.00 45.31 C ATOM 46 CB CYS 294 -19.622 28.304 57.646 1.00 45.31 C ATOM 47 SG CYS 294 -20.267 29.892 58.250 1.00 45.31 S ATOM 48 C CYS 294 -19.739 27.208 59.840 1.00 45.31 C ATOM 49 O CYS 294 -20.628 26.366 59.720 1.00 45.31 O ATOM 50 N THR 295 -19.559 27.895 60.986 1.00108.74 N ATOM 51 CA THR 295 -20.389 27.587 62.115 1.00108.74 C ATOM 52 CB THR 295 -19.975 28.291 63.383 1.00108.74 C ATOM 53 OG1 THR 295 -20.741 27.804 64.476 1.00108.74 O ATOM 54 CG2 THR 295 -20.170 29.811 63.230 1.00108.74 C ATOM 55 C THR 295 -21.818 27.934 61.833 1.00108.74 C ATOM 56 O THR 295 -22.718 27.155 62.146 1.00108.74 O ATOM 57 N GLN 296 -22.076 29.128 61.265 1.00151.86 N ATOM 58 CA GLN 296 -23.451 29.496 61.097 1.00151.86 C ATOM 59 CB GLN 296 -23.634 30.994 60.804 1.00151.86 C ATOM 60 CG GLN 296 -23.424 31.874 62.036 1.00151.86 C ATOM 61 CD GLN 296 -24.556 31.575 63.012 1.00151.86 C ATOM 62 OE1 GLN 296 -24.484 31.922 64.189 1.00151.86 O ATOM 63 NE2 GLN 296 -25.629 30.903 62.513 1.00151.86 N ATOM 64 C GLN 296 -24.159 28.728 60.021 1.00151.86 C ATOM 65 O GLN 296 -25.210 28.139 60.271 1.00151.86 O ATOM 66 N CYS 297 -23.600 28.746 58.794 1.00 99.37 N ATOM 67 CA CYS 297 -24.208 28.152 57.633 1.00 99.37 C ATOM 68 CB CYS 297 -23.538 28.657 56.345 1.00 99.37 C ATOM 69 SG CYS 297 -24.254 27.936 54.847 1.00 99.37 S ATOM 70 C CYS 297 -24.132 26.654 57.637 1.00 99.37 C ATOM 71 O CYS 297 -25.115 25.974 57.349 1.00 99.37 O ATOM 72 N GLY 298 -22.951 26.101 57.980 1.00 27.32 N ATOM 73 CA GLY 298 -22.750 24.680 57.947 1.00 27.32 C ATOM 74 C GLY 298 -22.114 24.317 56.632 1.00 27.32 C ATOM 75 O GLY 298 -21.875 23.143 56.354 1.00 27.32 O ATOM 76 N LYS 299 -21.831 25.320 55.779 1.00 92.63 N ATOM 77 CA LYS 299 -21.210 25.047 54.514 1.00 92.63 C ATOM 78 CB LYS 299 -21.245 26.249 53.552 1.00 92.63 C ATOM 79 CG LYS 299 -20.635 25.954 52.181 1.00 92.63 C ATOM 80 CD LYS 299 -20.879 27.061 51.151 1.00 92.63 C ATOM 81 CE LYS 299 -22.347 27.214 50.757 1.00 92.63 C ATOM 82 NZ LYS 299 -22.783 26.039 49.970 1.00 92.63 N ATOM 83 C LYS 299 -19.771 24.707 54.778 1.00 92.63 C ATOM 84 O LYS 299 -19.137 25.294 55.654 1.00 92.63 O ATOM 85 N SER 300 -19.217 23.739 54.017 1.00 87.39 N ATOM 86 CA SER 300 -17.863 23.319 54.246 1.00 87.39 C ATOM 87 CB SER 300 -17.731 21.804 54.486 1.00 87.39 C ATOM 88 OG SER 300 -18.260 21.080 53.384 1.00 87.39 O ATOM 89 C SER 300 -17.031 23.701 53.060 1.00 87.39 C ATOM 90 O SER 300 -17.520 23.746 51.933 1.00 87.39 O ATOM 91 N PHE 301 -15.736 24.008 53.300 1.00 65.41 N ATOM 92 CA PHE 301 -14.872 24.440 52.236 1.00 65.41 C ATOM 93 CB PHE 301 -14.480 25.924 52.335 1.00 65.41 C ATOM 94 CG PHE 301 -15.702 26.748 52.116 1.00 65.41 C ATOM 95 CD1 PHE 301 -16.088 27.118 50.846 1.00 65.41 C ATOM 96 CD2 PHE 301 -16.468 27.149 53.187 1.00 65.41 C ATOM 97 CE1 PHE 301 -17.216 27.882 50.645 1.00 65.41 C ATOM 98 CE2 PHE 301 -17.596 27.911 52.991 1.00 65.41 C ATOM 99 CZ PHE 301 -17.971 28.280 51.721 1.00 65.41 C ATOM 100 C PHE 301 -13.601 23.652 52.275 1.00 65.41 C ATOM 101 O PHE 301 -13.194 23.135 53.314 1.00 65.41 O ATOM 102 N SER 302 -12.962 23.514 51.097 1.00 79.25 N ATOM 103 CA SER 302 -11.716 22.814 50.982 1.00 79.25 C ATOM 104 CB SER 302 -11.336 22.485 49.532 1.00 79.25 C ATOM 105 OG SER 302 -10.099 21.792 49.524 1.00 79.25 O ATOM 106 C SER 302 -10.608 23.648 51.555 1.00 79.25 C ATOM 107 O SER 302 -9.614 23.110 52.044 1.00 79.25 O ATOM 108 N LYS 303 -10.733 24.992 51.504 1.00 44.57 N ATOM 109 CA LYS 303 -9.629 25.788 51.967 1.00 44.57 C ATOM 110 CB LYS 303 -8.889 26.498 50.819 1.00 44.57 C ATOM 111 CG LYS 303 -8.184 25.514 49.883 1.00 44.57 C ATOM 112 CD LYS 303 -7.743 26.132 48.561 1.00 44.57 C ATOM 113 CE LYS 303 -7.042 25.135 47.639 1.00 44.57 C ATOM 114 NZ LYS 303 -6.622 25.823 46.401 1.00 44.57 N ATOM 115 C LYS 303 -10.096 26.831 52.936 1.00 44.57 C ATOM 116 O LYS 303 -11.166 27.424 52.809 1.00 44.57 O ATOM 117 N PRO 304 -9.263 27.034 53.921 1.00 93.20 N ATOM 118 CA PRO 304 -9.498 27.973 54.985 1.00 93.20 C ATOM 119 CD PRO 304 -7.867 26.636 53.838 1.00 93.20 C ATOM 120 CB PRO 304 -8.266 27.872 55.883 1.00 93.20 C ATOM 121 CG PRO 304 -7.146 27.479 54.903 1.00 93.20 C ATOM 122 C PRO 304 -9.697 29.368 54.476 1.00 93.20 C ATOM 123 O PRO 304 -10.496 30.098 55.060 1.00 93.20 O ATOM 124 N SER 305 -8.974 29.765 53.410 1.00 60.32 N ATOM 125 CA SER 305 -9.080 31.097 52.890 1.00 60.32 C ATOM 126 CB SER 305 -8.144 31.340 51.695 1.00 60.32 C ATOM 127 OG SER 305 -8.361 32.636 51.159 1.00 60.32 O ATOM 128 C SER 305 -10.470 31.295 52.394 1.00 60.32 C ATOM 129 O SER 305 -11.075 32.346 52.602 1.00 60.32 O ATOM 130 N SER 306 -11.023 30.270 51.724 1.00 66.52 N ATOM 131 CA SER 306 -12.334 30.390 51.163 1.00 66.52 C ATOM 132 CB SER 306 -12.767 29.155 50.352 1.00 66.52 C ATOM 133 OG SER 306 -14.083 29.343 49.847 1.00 66.52 O ATOM 134 C SER 306 -13.329 30.549 52.264 1.00 66.52 C ATOM 135 O SER 306 -14.243 31.365 52.165 1.00 66.52 O ATOM 136 N LEU 307 -13.189 29.767 53.349 1.00 59.94 N ATOM 137 CA LEU 307 -14.177 29.863 54.381 1.00 59.94 C ATOM 138 CB LEU 307 -14.053 28.809 55.484 1.00 59.94 C ATOM 139 CG LEU 307 -15.204 28.944 56.496 1.00 59.94 C ATOM 140 CD1 LEU 307 -16.571 28.816 55.804 1.00 59.94 C ATOM 141 CD2 LEU 307 -15.053 27.954 57.653 1.00 59.94 C ATOM 142 C LEU 307 -14.092 31.208 55.023 1.00 59.94 C ATOM 143 O LEU 307 -15.112 31.805 55.363 1.00 59.94 O ATOM 144 N LYS 308 -12.863 31.731 55.186 1.00 97.35 N ATOM 145 CA LYS 308 -12.674 32.983 55.862 1.00 97.35 C ATOM 146 CB LYS 308 -11.213 33.468 55.820 1.00 97.35 C ATOM 147 CG LYS 308 -11.011 34.802 56.544 1.00 97.35 C ATOM 148 CD LYS 308 -9.546 35.215 56.714 1.00 97.35 C ATOM 149 CE LYS 308 -8.840 34.549 57.896 1.00 97.35 C ATOM 150 NZ LYS 308 -7.431 34.995 57.958 1.00 97.35 N ATOM 151 C LYS 308 -13.476 34.029 55.154 1.00 97.35 C ATOM 152 O LYS 308 -14.205 34.792 55.785 1.00 97.35 O ATOM 153 N ILE 309 -13.389 34.077 53.814 1.00 84.81 N ATOM 154 CA ILE 309 -14.105 35.094 53.098 1.00 84.81 C ATOM 155 CB ILE 309 -13.825 35.103 51.617 1.00 84.81 C ATOM 156 CG1 ILE 309 -14.314 33.815 50.932 1.00 84.81 C ATOM 157 CG2 ILE 309 -12.321 35.362 51.430 1.00 84.81 C ATOM 158 CD1 ILE 309 -14.251 33.874 49.404 1.00 84.81 C ATOM 159 C ILE 309 -15.566 34.870 53.310 1.00 84.81 C ATOM 160 O ILE 309 -16.330 35.816 53.494 1.00 84.81 O ATOM 161 N HIS 310 -15.983 33.592 53.310 1.00 48.55 N ATOM 162 CA HIS 310 -17.373 33.264 53.414 1.00 48.55 C ATOM 163 ND1 HIS 310 -19.922 31.329 52.428 1.00 48.55 N ATOM 164 CG HIS 310 -19.085 31.419 53.517 1.00 48.55 C ATOM 165 CB HIS 310 -17.626 31.750 53.438 1.00 48.55 C ATOM 166 NE2 HIS 310 -21.169 30.916 54.221 1.00 48.55 N ATOM 167 CD2 HIS 310 -19.863 31.162 54.604 1.00 48.55 C ATOM 168 CE1 HIS 310 -21.157 31.027 52.906 1.00 48.55 C ATOM 169 C HIS 310 -17.950 33.820 54.678 1.00 48.55 C ATOM 170 O HIS 310 -18.995 34.467 54.646 1.00 48.55 O ATOM 171 N MET 311 -17.295 33.605 55.835 1.00 28.57 N ATOM 172 CA MET 311 -17.895 34.108 57.038 1.00 28.57 C ATOM 173 CB MET 311 -17.288 33.545 58.336 1.00 28.57 C ATOM 174 CG MET 311 -17.599 32.064 58.562 1.00 28.57 C ATOM 175 SD MET 311 -16.924 31.380 60.105 1.00 28.57 S ATOM 176 CE MET 311 -15.189 31.509 59.586 1.00 28.57 C ATOM 177 C MET 311 -17.763 35.622 57.096 1.00 28.57 C ATOM 178 O MET 311 -16.729 36.094 57.635 1.00 28.57 O ATOM 179 OXT MET 311 -18.699 36.324 56.624 1.00 28.57 O