EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:20:52 REMARK 6 MODELLER OBJECTIVE FUNCTION: 83.3967 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1514.43774 REMARK 6 GA341 score: 0.89173 REMARK 6 Normalized DOPE score: 0.20660 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 43.5% ATOM 1 N GLU 192 -13.410 18.510 57.717 1.00 94.91 N ATOM 2 CA GLU 192 -12.799 19.854 57.832 1.00 94.91 C ATOM 3 CB GLU 192 -13.872 20.890 58.198 1.00 94.91 C ATOM 4 CG GLU 192 -14.825 21.190 57.042 1.00 94.91 C ATOM 5 CD GLU 192 -14.081 22.158 56.131 1.00 94.91 C ATOM 6 OE1 GLU 192 -13.943 23.346 56.526 1.00 94.91 O ATOM 7 OE2 GLU 192 -13.621 21.727 55.041 1.00 94.91 O ATOM 8 C GLU 192 -11.748 19.882 58.887 1.00 94.91 C ATOM 9 O GLU 192 -11.275 18.840 59.339 1.00 94.91 O ATOM 10 N LYS 193 -11.321 21.098 59.277 1.00 91.37 N ATOM 11 CA LYS 193 -10.362 21.203 60.336 1.00 91.37 C ATOM 12 CB LYS 193 -9.165 22.111 60.007 1.00 91.37 C ATOM 13 CG LYS 193 -8.344 21.589 58.829 1.00 91.37 C ATOM 14 CD LYS 193 -9.118 21.648 57.512 1.00 91.37 C ATOM 15 CE LYS 193 -8.374 21.043 56.322 1.00 91.37 C ATOM 16 NZ LYS 193 -9.277 20.978 55.150 1.00 91.37 N ATOM 17 C LYS 193 -11.098 21.840 61.461 1.00 91.37 C ATOM 18 O LYS 193 -11.329 23.048 61.486 1.00 91.37 O ATOM 19 N PRO 194 -11.495 21.023 62.381 1.00113.70 N ATOM 20 CA PRO 194 -12.248 21.534 63.485 1.00113.70 C ATOM 21 CD PRO 194 -11.933 19.686 62.008 1.00113.70 C ATOM 22 CB PRO 194 -12.899 20.323 64.142 1.00113.70 C ATOM 23 CG PRO 194 -13.081 19.341 62.971 1.00113.70 C ATOM 24 C PRO 194 -11.482 22.404 64.424 1.00113.70 C ATOM 25 O PRO 194 -12.108 23.189 65.133 1.00113.70 O ATOM 26 N PHE 195 -10.143 22.298 64.470 1.00 57.97 N ATOM 27 CA PHE 195 -9.473 23.099 65.449 1.00 57.97 C ATOM 28 CB PHE 195 -8.360 22.348 66.198 1.00 57.97 C ATOM 29 CG PHE 195 -9.041 21.302 67.014 1.00 57.97 C ATOM 30 CD1 PHE 195 -9.632 21.634 68.210 1.00 57.97 C ATOM 31 CD2 PHE 195 -9.082 19.993 66.588 1.00 57.97 C ATOM 32 CE1 PHE 195 -10.263 20.680 68.971 1.00 57.97 C ATOM 33 CE2 PHE 195 -9.710 19.035 67.344 1.00 57.97 C ATOM 34 CZ PHE 195 -10.303 19.377 68.536 1.00 57.97 C ATOM 35 C PHE 195 -8.901 24.309 64.787 1.00 57.97 C ATOM 36 O PHE 195 -8.116 24.213 63.843 1.00 57.97 O ATOM 37 N THR 196 -9.293 25.496 65.295 1.00 98.93 N ATOM 38 CA THR 196 -8.866 26.738 64.725 1.00 98.93 C ATOM 39 CB THR 196 -10.013 27.668 64.436 1.00 98.93 C ATOM 40 OG1 THR 196 -9.548 28.843 63.787 1.00 98.93 O ATOM 41 CG2 THR 196 -10.704 28.022 65.765 1.00 98.93 C ATOM 42 C THR 196 -7.967 27.422 65.704 1.00 98.93 C ATOM 43 O THR 196 -8.227 27.431 66.906 1.00 98.93 O ATOM 44 N CYS 197 -6.853 27.987 65.195 1.00 41.18 N ATOM 45 CA CYS 197 -5.913 28.683 66.024 1.00 41.18 C ATOM 46 CB CYS 197 -4.553 28.898 65.332 1.00 41.18 C ATOM 47 SG CYS 197 -3.359 29.781 66.378 1.00 41.18 S ATOM 48 C CYS 197 -6.497 30.024 66.337 1.00 41.18 C ATOM 49 O CYS 197 -6.948 30.750 65.453 1.00 41.18 O ATOM 50 N THR 198 -6.509 30.395 67.628 1.00106.68 N ATOM 51 CA THR 198 -7.092 31.648 68.002 1.00106.68 C ATOM 52 CB THR 198 -7.178 31.820 69.491 1.00106.68 C ATOM 53 OG1 THR 198 -7.843 33.036 69.803 1.00106.68 O ATOM 54 CG2 THR 198 -5.765 31.788 70.104 1.00106.68 C ATOM 55 C THR 198 -6.273 32.763 67.437 1.00106.68 C ATOM 56 O THR 198 -6.803 33.752 66.934 1.00106.68 O ATOM 57 N GLN 199 -4.939 32.640 67.540 1.00119.37 N ATOM 58 CA GLN 199 -4.065 33.696 67.119 1.00119.37 C ATOM 59 CB GLN 199 -2.635 33.414 67.612 1.00119.37 C ATOM 60 CG GLN 199 -2.577 33.311 69.138 1.00119.37 C ATOM 61 CD GLN 199 -1.223 32.756 69.559 1.00119.37 C ATOM 62 OE1 GLN 199 -0.922 32.651 70.747 1.00119.37 O ATOM 63 NE2 GLN 199 -0.389 32.366 68.559 1.00119.37 N ATOM 64 C GLN 199 -4.022 33.882 65.622 1.00119.37 C ATOM 65 O GLN 199 -4.332 34.962 65.120 1.00119.37 O ATOM 66 N CYS 200 -3.622 32.828 64.874 1.00108.82 N ATOM 67 CA CYS 200 -3.451 32.882 63.438 1.00108.82 C ATOM 68 CB CYS 200 -2.713 31.662 62.869 1.00108.82 C ATOM 69 SG CYS 200 -1.105 31.356 63.640 1.00108.82 S ATOM 70 C CYS 200 -4.755 32.859 62.715 1.00108.82 C ATOM 71 O CYS 200 -4.977 33.619 61.774 1.00108.82 O ATOM 72 N GLY 201 -5.658 31.961 63.145 1.00 28.96 N ATOM 73 CA GLY 201 -6.889 31.767 62.443 1.00 28.96 C ATOM 74 C GLY 201 -6.724 30.560 61.562 1.00 28.96 C ATOM 75 O GLY 201 -7.656 30.162 60.867 1.00 28.96 O ATOM 76 N MET 202 -5.530 29.929 61.571 1.00 48.19 N ATOM 77 CA MET 202 -5.311 28.772 60.743 1.00 48.19 C ATOM 78 CB MET 202 -3.827 28.392 60.598 1.00 48.19 C ATOM 79 CG MET 202 -3.563 27.345 59.509 1.00 48.19 C ATOM 80 SD MET 202 -1.810 26.910 59.271 1.00 48.19 S ATOM 81 CE MET 202 -2.074 25.911 57.777 1.00 48.19 C ATOM 82 C MET 202 -6.041 27.608 61.347 1.00 48.19 C ATOM 83 O MET 202 -6.164 27.502 62.568 1.00 48.19 O ATOM 84 N ARG 203 -6.540 26.693 60.484 1.00 84.96 N ATOM 85 CA ARG 203 -7.332 25.579 60.933 1.00 84.96 C ATOM 86 CB ARG 203 -8.662 25.473 60.166 1.00 84.96 C ATOM 87 CG ARG 203 -9.541 26.721 60.307 1.00 84.96 C ATOM 88 CD ARG 203 -10.761 26.723 59.382 1.00 84.96 C ATOM 89 NE ARG 203 -10.282 26.959 57.989 1.00 84.96 N ATOM 90 CZ ARG 203 -10.306 28.218 57.460 1.00 84.96 C ATOM 91 NH1 ARG 203 -10.790 29.261 58.195 1.00 84.96 N ATOM 92 NH2 ARG 203 -9.860 28.428 56.187 1.00 84.96 N ATOM 93 C ARG 203 -6.568 24.306 60.703 1.00 84.96 C ATOM 94 O ARG 203 -5.811 24.188 59.741 1.00 84.96 O ATOM 95 N PHE 204 -6.754 23.310 61.602 1.00 58.77 N ATOM 96 CA PHE 204 -6.017 22.076 61.501 1.00 58.77 C ATOM 97 CB PHE 204 -4.931 21.931 62.585 1.00 58.77 C ATOM 98 CG PHE 204 -3.891 22.971 62.335 1.00 58.77 C ATOM 99 CD1 PHE 204 -2.830 22.719 61.494 1.00 58.77 C ATOM 100 CD2 PHE 204 -3.982 24.204 62.940 1.00 58.77 C ATOM 101 CE1 PHE 204 -1.875 23.682 61.265 1.00 58.77 C ATOM 102 CE2 PHE 204 -3.031 25.170 62.714 1.00 58.77 C ATOM 103 CZ PHE 204 -1.975 24.910 61.876 1.00 58.77 C ATOM 104 C PHE 204 -6.934 20.902 61.655 1.00 58.77 C ATOM 105 O PHE 204 -7.973 20.968 62.312 1.00 58.77 O ATOM 106 N SER 205 -6.553 19.784 61.008 1.00 74.75 N ATOM 107 CA SER 205 -7.278 18.549 61.056 1.00 74.75 C ATOM 108 CB SER 205 -6.754 17.519 60.045 1.00 74.75 C ATOM 109 OG SER 205 -7.479 16.306 60.178 1.00 74.75 O ATOM 110 C SER 205 -7.143 17.925 62.412 1.00 74.75 C ATOM 111 O SER 205 -8.073 17.276 62.889 1.00 74.75 O ATOM 112 N LEU 206 -5.976 18.086 63.071 1.00 83.17 N ATOM 113 CA LEU 206 -5.798 17.412 64.330 1.00 83.17 C ATOM 114 CB LEU 206 -4.604 16.444 64.370 1.00 83.17 C ATOM 115 CG LEU 206 -4.691 15.275 63.372 1.00 83.17 C ATOM 116 CD1 LEU 206 -4.498 15.756 61.926 1.00 83.17 C ATOM 117 CD2 LEU 206 -3.730 14.142 63.766 1.00 83.17 C ATOM 118 C LEU 206 -5.549 18.403 65.426 1.00 83.17 C ATOM 119 O LEU 206 -4.923 19.442 65.223 1.00 83.17 O ATOM 120 N THR 207 -6.045 18.081 66.640 1.00 99.87 N ATOM 121 CA THR 207 -5.896 18.912 67.803 1.00 99.87 C ATOM 122 CB THR 207 -6.671 18.405 68.986 1.00 99.87 C ATOM 123 OG1 THR 207 -6.554 19.311 70.074 1.00 99.87 O ATOM 124 CG2 THR 207 -6.154 17.009 69.374 1.00 99.87 C ATOM 125 C THR 207 -4.458 19.000 68.205 1.00 99.87 C ATOM 126 O THR 207 -3.964 20.079 68.524 1.00 99.87 O ATOM 127 N SER 208 -3.733 17.869 68.196 1.00 59.72 N ATOM 128 CA SER 208 -2.368 17.883 68.635 1.00 59.72 C ATOM 129 CB SER 208 -1.733 16.488 68.647 1.00 59.72 C ATOM 130 OG SER 208 -0.388 16.570 69.088 1.00 59.72 O ATOM 131 C SER 208 -1.561 18.730 67.707 1.00 59.72 C ATOM 132 O SER 208 -0.658 19.438 68.148 1.00 59.72 O ATOM 133 N SER 209 -1.861 18.678 66.394 1.00 63.98 N ATOM 134 CA SER 209 -1.094 19.439 65.452 1.00 63.98 C ATOM 135 CB SER 209 -1.494 19.165 63.996 1.00 63.98 C ATOM 136 OG SER 209 -2.810 19.636 63.753 1.00 63.98 O ATOM 137 C SER 209 -1.315 20.892 65.715 1.00 63.98 C ATOM 138 O SER 209 -0.395 21.700 65.598 1.00 63.98 O ATOM 139 N LEU 210 -2.550 21.268 66.093 1.00 94.75 N ATOM 140 CA LEU 210 -2.805 22.654 66.335 1.00 94.75 C ATOM 141 CB LEU 210 -4.285 22.937 66.666 1.00 94.75 C ATOM 142 CG LEU 210 -4.707 24.425 66.618 1.00 94.75 C ATOM 143 CD1 LEU 210 -6.186 24.575 67.003 1.00 94.75 C ATOM 144 CD2 LEU 210 -3.787 25.355 67.428 1.00 94.75 C ATOM 145 C LEU 210 -1.958 23.058 67.504 1.00 94.75 C ATOM 146 O LEU 210 -1.337 24.120 67.484 1.00 94.75 O ATOM 147 N LYS 211 -1.876 22.202 68.545 1.00 94.08 N ATOM 148 CA LYS 211 -1.131 22.556 69.722 1.00 94.08 C ATOM 149 CB LYS 211 -1.078 21.442 70.779 1.00 94.08 C ATOM 150 CG LYS 211 -0.257 21.844 72.006 1.00 94.08 C ATOM 151 CD LYS 211 -0.354 20.871 73.182 1.00 94.08 C ATOM 152 CE LYS 211 -1.547 21.125 74.107 1.00 94.08 C ATOM 153 NZ LYS 211 -1.513 20.163 75.238 1.00 94.08 N ATOM 154 C LYS 211 0.289 22.822 69.351 1.00 94.08 C ATOM 155 O LYS 211 0.874 23.814 69.781 1.00 94.08 O ATOM 156 N ILE 212 0.886 21.952 68.522 1.00 71.78 N ATOM 157 CA ILE 212 2.269 22.136 68.207 1.00 71.78 C ATOM 158 CB ILE 212 2.836 21.029 67.357 1.00 71.78 C ATOM 159 CG1 ILE 212 4.371 21.042 67.399 1.00 71.78 C ATOM 160 CG2 ILE 212 2.269 21.144 65.936 1.00 71.78 C ATOM 161 CD1 ILE 212 4.988 19.771 66.820 1.00 71.78 C ATOM 162 C ILE 212 2.399 23.449 67.499 1.00 71.78 C ATOM 163 O ILE 212 3.333 24.212 67.743 1.00 71.78 O ATOM 164 N HIS 213 1.430 23.752 66.613 1.00 40.52 N ATOM 165 CA HIS 213 1.438 24.973 65.860 1.00 40.52 C ATOM 166 ND1 HIS 213 1.135 26.776 63.203 1.00 40.52 N ATOM 167 CG HIS 213 0.210 26.392 64.150 1.00 40.52 C ATOM 168 CB HIS 213 0.245 25.089 64.894 1.00 40.52 C ATOM 169 NE2 HIS 213 -0.319 28.450 63.390 1.00 40.52 N ATOM 170 CD2 HIS 213 -0.671 27.425 64.250 1.00 40.52 C ATOM 171 CE1 HIS 213 0.770 28.014 62.783 1.00 40.52 C ATOM 172 C HIS 213 1.377 26.130 66.805 1.00 40.52 C ATOM 173 O HIS 213 2.122 27.096 66.653 1.00 40.52 O ATOM 174 N MET 214 0.494 26.065 67.817 1.00 79.61 N ATOM 175 CA MET 214 0.410 27.162 68.735 1.00 79.61 C ATOM 176 CB MET 214 -0.655 26.983 69.836 1.00 79.61 C ATOM 177 CG MET 214 -0.721 28.169 70.806 1.00 79.61 C ATOM 178 SD MET 214 -1.974 28.045 72.119 1.00 79.61 S ATOM 179 CE MET 214 -1.321 29.428 73.101 1.00 79.61 C ATOM 180 C MET 214 1.768 27.303 69.406 1.00 79.61 C ATOM 181 O MET 214 2.242 28.462 69.529 1.00 79.61 O ATOM 182 OXT MET 214 2.347 26.256 69.803 1.00 79.61 O