EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:38 REMARK 6 MODELLER OBJECTIVE FUNCTION: 95.3207 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1456.56604 REMARK 6 GA341 score: 0.98954 REMARK 6 Normalized DOPE score: -0.52839 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 193 -7.006 21.898 49.134 1.00 63.59 N ATOM 2 CA GLU 193 -7.815 21.981 50.368 1.00 63.59 C ATOM 3 CB GLU 193 -7.849 20.614 51.074 1.00 63.59 C ATOM 4 CG GLU 193 -8.626 19.570 50.269 1.00 63.59 C ATOM 5 CD GLU 193 -8.448 18.214 50.934 1.00 63.59 C ATOM 6 OE1 GLU 193 -7.342 17.627 50.790 1.00 63.59 O ATOM 7 OE2 GLU 193 -9.411 17.744 51.595 1.00 63.59 O ATOM 8 C GLU 193 -7.258 23.013 51.296 1.00 63.59 C ATOM 9 O GLU 193 -6.641 23.985 50.863 1.00 63.59 O ATOM 10 N LYS 194 -7.477 22.832 52.612 1.00 62.59 N ATOM 11 CA LYS 194 -7.022 23.816 53.550 1.00 62.59 C ATOM 12 CB LYS 194 -8.188 24.325 54.415 1.00 62.59 C ATOM 13 CG LYS 194 -9.340 24.871 53.566 1.00 62.59 C ATOM 14 CD LYS 194 -10.684 24.927 54.297 1.00 62.59 C ATOM 15 CE LYS 194 -11.866 25.213 53.366 1.00 62.59 C ATOM 16 NZ LYS 194 -13.146 24.920 54.050 1.00 62.59 N ATOM 17 C LYS 194 -6.030 23.150 54.454 1.00 62.59 C ATOM 18 O LYS 194 -6.395 22.523 55.448 1.00 62.59 O ATOM 19 N PRO 195 -4.777 23.274 54.116 1.00112.54 N ATOM 20 CA PRO 195 -3.743 22.652 54.901 1.00112.54 C ATOM 21 CD PRO 195 -4.426 23.315 52.704 1.00112.54 C ATOM 22 CB PRO 195 -2.503 22.613 54.006 1.00112.54 C ATOM 23 CG PRO 195 -3.085 22.574 52.584 1.00112.54 C ATOM 24 C PRO 195 -3.468 23.230 56.254 1.00112.54 C ATOM 25 O PRO 195 -2.942 22.506 57.098 1.00112.54 O ATOM 26 N PHE 196 -3.789 24.510 56.514 1.00 58.47 N ATOM 27 CA PHE 196 -3.380 25.010 57.797 1.00 58.47 C ATOM 28 CB PHE 196 -2.657 26.364 57.717 1.00 58.47 C ATOM 29 CG PHE 196 -1.382 26.081 57.001 1.00 58.47 C ATOM 30 CD1 PHE 196 -0.323 25.525 57.677 1.00 58.47 C ATOM 31 CD2 PHE 196 -1.251 26.361 55.661 1.00 58.47 C ATOM 32 CE1 PHE 196 0.858 25.254 57.025 1.00 58.47 C ATOM 33 CE2 PHE 196 -0.070 26.091 55.006 1.00 58.47 C ATOM 34 CZ PHE 196 0.985 25.535 55.687 1.00 58.47 C ATOM 35 C PHE 196 -4.565 25.135 58.700 1.00 58.47 C ATOM 36 O PHE 196 -5.561 25.773 58.362 1.00 58.47 O ATOM 37 N THR 197 -4.464 24.535 59.906 1.00 32.85 N ATOM 38 CA THR 197 -5.569 24.539 60.822 1.00 32.85 C ATOM 39 CB THR 197 -5.975 23.164 61.271 1.00 32.85 C ATOM 40 OG1 THR 197 -6.338 22.372 60.148 1.00 32.85 O ATOM 41 CG2 THR 197 -7.162 23.287 62.243 1.00 32.85 C ATOM 42 C THR 197 -5.201 25.317 62.047 1.00 32.85 C ATOM 43 O THR 197 -4.076 25.252 62.540 1.00 32.85 O ATOM 44 N CYS 198 -6.175 26.100 62.553 1.00 40.33 N ATOM 45 CA CYS 198 -6.015 26.900 63.738 1.00 40.33 C ATOM 46 CB CYS 198 -7.107 27.976 63.872 1.00 40.33 C ATOM 47 SG CYS 198 -6.929 29.001 65.364 1.00 40.33 S ATOM 48 C CYS 198 -6.115 26.000 64.927 1.00 40.33 C ATOM 49 O CYS 198 -7.026 25.183 65.027 1.00 40.33 O ATOM 50 N THR 199 -5.181 26.138 65.883 1.00107.11 N ATOM 51 CA THR 199 -5.197 25.270 67.023 1.00107.11 C ATOM 52 CB THR 199 -4.003 25.454 67.922 1.00107.11 C ATOM 53 OG1 THR 199 -4.010 24.473 68.948 1.00107.11 O ATOM 54 CG2 THR 199 -4.019 26.866 68.536 1.00107.11 C ATOM 55 C THR 199 -6.427 25.498 67.842 1.00107.11 C ATOM 56 O THR 199 -7.041 24.543 68.318 1.00107.11 O ATOM 57 N GLN 200 -6.800 26.772 68.073 1.00110.33 N ATOM 58 CA GLN 200 -7.901 27.021 68.955 1.00110.33 C ATOM 59 CB GLN 200 -7.935 28.493 69.393 1.00110.33 C ATOM 60 CG GLN 200 -6.648 28.878 70.126 1.00110.33 C ATOM 61 CD GLN 200 -6.724 30.344 70.508 1.00110.33 C ATOM 62 OE1 GLN 200 -7.686 31.034 70.179 1.00110.33 O ATOM 63 NE2 GLN 200 -5.676 30.839 71.220 1.00110.33 N ATOM 64 C GLN 200 -9.242 26.650 68.377 1.00110.33 C ATOM 65 O GLN 200 -9.978 25.867 68.976 1.00110.33 O ATOM 66 N CYS 201 -9.592 27.227 67.206 1.00108.85 N ATOM 67 CA CYS 201 -10.875 27.043 66.565 1.00108.85 C ATOM 68 CB CYS 201 -11.120 28.039 65.424 1.00108.85 C ATOM 69 SG CYS 201 -10.973 29.766 65.931 1.00108.85 S ATOM 70 C CYS 201 -11.000 25.713 65.894 1.00108.85 C ATOM 71 O CYS 201 -12.023 25.039 66.009 1.00108.85 O ATOM 72 N GLY 202 -9.946 25.307 65.164 1.00 27.97 N ATOM 73 CA GLY 202 -10.027 24.116 64.375 1.00 27.97 C ATOM 74 C GLY 202 -10.382 24.522 62.973 1.00 27.97 C ATOM 75 O GLY 202 -10.557 23.670 62.104 1.00 27.97 O ATOM 76 N LYS 203 -10.491 25.845 62.722 1.00 98.59 N ATOM 77 CA LYS 203 -10.815 26.365 61.419 1.00 98.59 C ATOM 78 CB LYS 203 -11.086 27.879 61.449 1.00 98.59 C ATOM 79 CG LYS 203 -11.618 28.455 60.137 1.00 98.59 C ATOM 80 CD LYS 203 -12.072 29.910 60.264 1.00 98.59 C ATOM 81 CE LYS 203 -12.942 30.165 61.493 1.00 98.59 C ATOM 82 NZ LYS 203 -13.180 31.614 61.660 1.00 98.59 N ATOM 83 C LYS 203 -9.629 26.147 60.523 1.00 98.59 C ATOM 84 O LYS 203 -8.487 26.306 60.951 1.00 98.59 O ATOM 85 N SER 204 -9.867 25.789 59.240 1.00 53.83 N ATOM 86 CA SER 204 -8.770 25.517 58.346 1.00 53.83 C ATOM 87 CB SER 204 -8.883 24.163 57.624 1.00 53.83 C ATOM 88 OG SER 204 -8.833 23.094 58.559 1.00 53.83 O ATOM 89 C SER 204 -8.719 26.583 57.291 1.00 53.83 C ATOM 90 O SER 204 -9.737 27.177 56.936 1.00 53.83 O ATOM 91 N PHE 205 -7.503 26.847 56.759 1.00146.94 N ATOM 92 CA PHE 205 -7.314 27.906 55.805 1.00146.94 C ATOM 93 CB PHE 205 -6.506 29.082 56.384 1.00146.94 C ATOM 94 CG PHE 205 -7.312 29.727 57.461 1.00146.94 C ATOM 95 CD1 PHE 205 -7.290 29.234 58.745 1.00146.94 C ATOM 96 CD2 PHE 205 -8.099 30.820 57.183 1.00146.94 C ATOM 97 CE1 PHE 205 -8.033 29.830 59.739 1.00146.94 C ATOM 98 CE2 PHE 205 -8.844 31.420 58.172 1.00146.94 C ATOM 99 CZ PHE 205 -8.814 30.924 59.453 1.00146.94 C ATOM 100 C PHE 205 -6.523 27.408 54.636 1.00146.94 C ATOM 101 O PHE 205 -5.711 26.492 54.749 1.00146.94 O ATOM 102 N SER 206 -6.781 28.015 53.462 1.00 77.10 N ATOM 103 CA SER 206 -6.093 27.709 52.245 1.00 77.10 C ATOM 104 CB SER 206 -6.773 28.343 51.023 1.00 77.10 C ATOM 105 OG SER 206 -6.053 28.012 49.847 1.00 77.10 O ATOM 106 C SER 206 -4.694 28.255 52.312 1.00 77.10 C ATOM 107 O SER 206 -3.772 27.682 51.735 1.00 77.10 O ATOM 108 N GLN 207 -4.494 29.388 53.018 1.00 74.63 N ATOM 109 CA GLN 207 -3.199 30.016 53.025 1.00 74.63 C ATOM 110 CB GLN 207 -3.214 31.420 52.391 1.00 74.63 C ATOM 111 CG GLN 207 -3.447 31.441 50.877 1.00 74.63 C ATOM 112 CD GLN 207 -2.091 31.520 50.185 1.00 74.63 C ATOM 113 OE1 GLN 207 -1.246 30.641 50.342 1.00 74.63 O ATOM 114 NE2 GLN 207 -1.873 32.612 49.404 1.00 74.63 N ATOM 115 C GLN 207 -2.720 30.205 54.433 1.00 74.63 C ATOM 116 O GLN 207 -3.500 30.473 55.345 1.00 74.63 O ATOM 117 N SER 208 -1.390 30.078 54.626 1.00 68.12 N ATOM 118 CA SER 208 -0.767 30.227 55.909 1.00 68.12 C ATOM 119 CB SER 208 0.737 29.903 55.879 1.00 68.12 C ATOM 120 OG SER 208 1.424 30.830 55.051 1.00 68.12 O ATOM 121 C SER 208 -0.917 31.645 56.366 1.00 68.12 C ATOM 122 O SER 208 -1.117 31.903 57.552 1.00 68.12 O ATOM 123 N SER 209 -0.836 32.605 55.425 1.00 25.80 N ATOM 124 CA SER 209 -0.919 34.001 55.749 1.00 25.80 C ATOM 125 CB SER 209 -0.752 34.891 54.506 1.00 25.80 C ATOM 126 OG SER 209 -1.797 34.627 53.582 1.00 25.80 O ATOM 127 C SER 209 -2.267 34.287 56.335 1.00 25.80 C ATOM 128 O SER 209 -2.392 35.066 57.279 1.00 25.80 O ATOM 129 N HIS 210 -3.324 33.670 55.782 1.00 36.61 N ATOM 130 CA HIS 210 -4.638 33.905 56.306 1.00 36.61 C ATOM 131 ND1 HIS 210 -5.455 33.798 52.996 1.00 36.61 N ATOM 132 CG HIS 210 -6.051 34.040 54.214 1.00 36.61 C ATOM 133 CB HIS 210 -5.764 33.275 55.468 1.00 36.61 C ATOM 134 NE2 HIS 210 -6.845 35.508 52.698 1.00 36.61 N ATOM 135 CD2 HIS 210 -6.897 35.086 54.014 1.00 36.61 C ATOM 136 CE1 HIS 210 -5.966 34.705 52.126 1.00 36.61 C ATOM 137 C HIS 210 -4.721 33.344 57.690 1.00 36.61 C ATOM 138 O HIS 210 -5.328 33.947 58.573 1.00 36.61 O ATOM 139 N LEU 211 -4.099 32.171 57.920 1.00106.59 N ATOM 140 CA LEU 211 -4.157 31.536 59.207 1.00106.59 C ATOM 141 CB LEU 211 -3.382 30.199 59.221 1.00106.59 C ATOM 142 CG LEU 211 -3.376 29.437 60.565 1.00106.59 C ATOM 143 CD1 LEU 211 -2.450 30.092 61.603 1.00106.59 C ATOM 144 CD2 LEU 211 -4.804 29.240 61.092 1.00106.59 C ATOM 145 C LEU 211 -3.554 32.452 60.226 1.00106.59 C ATOM 146 O LEU 211 -4.100 32.623 61.316 1.00106.59 O ATOM 147 N ILE 212 -2.418 33.093 59.899 1.00 87.80 N ATOM 148 CA ILE 212 -1.783 33.912 60.890 1.00 87.80 C ATOM 149 CB ILE 212 -0.459 34.492 60.474 1.00 87.80 C ATOM 150 CG1 ILE 212 -0.612 35.488 59.317 1.00 87.80 C ATOM 151 CG2 ILE 212 0.480 33.316 60.160 1.00 87.80 C ATOM 152 CD1 ILE 212 0.625 36.363 59.105 1.00 87.80 C ATOM 153 C ILE 212 -2.689 35.044 61.246 1.00 87.80 C ATOM 154 O ILE 212 -2.834 35.379 62.421 1.00 87.80 O ATOM 155 N LYS 213 -3.339 35.656 60.239 1.00 96.28 N ATOM 156 CA LYS 213 -4.209 36.771 60.490 1.00 96.28 C ATOM 157 CB LYS 213 -4.883 37.293 59.208 1.00 96.28 C ATOM 158 CG LYS 213 -5.888 38.422 59.445 1.00 96.28 C ATOM 159 CD LYS 213 -5.277 39.744 59.912 1.00 96.28 C ATOM 160 CE LYS 213 -6.317 40.857 60.075 1.00 96.28 C ATOM 161 NZ LYS 213 -5.668 42.117 60.502 1.00 96.28 N ATOM 162 C LYS 213 -5.297 36.320 61.407 1.00 96.28 C ATOM 163 O LYS 213 -5.665 37.026 62.345 1.00 96.28 O ATOM 164 N HIS 214 -5.828 35.111 61.160 1.00 40.78 N ATOM 165 CA HIS 214 -6.909 34.597 61.945 1.00 40.78 C ATOM 166 ND1 HIS 214 -9.739 33.082 62.435 1.00 40.78 N ATOM 167 CG HIS 214 -8.436 32.650 62.381 1.00 40.78 C ATOM 168 CB HIS 214 -7.389 33.217 61.474 1.00 40.78 C ATOM 169 NE2 HIS 214 -9.551 31.453 63.935 1.00 40.78 N ATOM 170 CD2 HIS 214 -8.338 31.652 63.306 1.00 40.78 C ATOM 171 CE1 HIS 214 -10.364 32.334 63.380 1.00 40.78 C ATOM 172 C HIS 214 -6.474 34.445 63.363 1.00 40.78 C ATOM 173 O HIS 214 -7.218 34.796 64.277 1.00 40.78 O ATOM 174 N MET 215 -5.257 33.912 63.584 1.00 13.69 N ATOM 175 CA MET 215 -4.787 33.702 64.924 1.00 13.69 C ATOM 176 CB MET 215 -3.320 33.249 64.999 1.00 13.69 C ATOM 177 CG MET 215 -3.073 31.875 64.374 1.00 13.69 C ATOM 178 SD MET 215 -1.344 31.320 64.451 1.00 13.69 S ATOM 179 CE MET 215 -0.714 32.569 63.293 1.00 13.69 C ATOM 180 C MET 215 -4.887 35.011 65.695 1.00 13.69 C ATOM 181 O MET 215 -5.635 35.038 66.710 1.00 13.69 O ATOM 182 OXT MET 215 -4.216 35.995 65.287 1.00 13.69 O