EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:23 REMARK 6 MODELLER OBJECTIVE FUNCTION: 97.6653 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 58.333 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1377.81006 REMARK 6 GA341 score: 0.95755 REMARK 6 Normalized DOPE score: -0.45676 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 58.3% ATOM 1 N GLU 187 -10.323 34.987 41.478 1.00 31.72 N ATOM 2 CA GLU 187 -11.307 35.473 42.470 1.00 31.72 C ATOM 3 CB GLU 187 -12.707 34.934 42.133 1.00 31.72 C ATOM 4 CG GLU 187 -13.831 35.517 42.989 1.00 31.72 C ATOM 5 CD GLU 187 -15.143 35.043 42.384 1.00 31.72 C ATOM 6 OE1 GLU 187 -15.439 35.447 41.230 1.00 31.72 O ATOM 7 OE2 GLU 187 -15.865 34.264 43.061 1.00 31.72 O ATOM 8 C GLU 187 -10.915 35.020 43.837 1.00 31.72 C ATOM 9 O GLU 187 -9.991 34.224 43.996 1.00 31.72 O ATOM 10 N ARG 188 -11.593 35.545 44.874 1.00102.48 N ATOM 11 CA ARG 188 -11.226 35.173 46.209 1.00102.48 C ATOM 12 CB ARG 188 -10.877 36.408 47.058 1.00102.48 C ATOM 13 CG ARG 188 -9.661 37.156 46.500 1.00102.48 C ATOM 14 CD ARG 188 -9.919 37.829 45.149 1.00102.48 C ATOM 15 NE ARG 188 -9.718 39.294 45.323 1.00102.48 N ATOM 16 CZ ARG 188 -10.768 40.127 45.582 1.00102.48 C ATOM 17 NH1 ARG 188 -12.036 39.633 45.691 1.00102.48 N ATOM 18 NH2 ARG 188 -10.542 41.466 45.719 1.00102.48 N ATOM 19 C ARG 188 -12.385 34.455 46.833 1.00102.48 C ATOM 20 O ARG 188 -13.330 35.062 47.336 1.00102.48 O ATOM 21 N PRO 189 -12.305 33.156 46.798 1.00106.17 N ATOM 22 CA PRO 189 -13.361 32.326 47.319 1.00106.17 C ATOM 23 CD PRO 189 -11.621 32.521 45.680 1.00106.17 C ATOM 24 CB PRO 189 -13.124 30.934 46.731 1.00106.17 C ATOM 25 CG PRO 189 -12.380 31.212 45.414 1.00106.17 C ATOM 26 C PRO 189 -13.527 32.298 48.809 1.00106.17 C ATOM 27 O PRO 189 -14.612 31.932 49.260 1.00106.17 O ATOM 28 N TYR 190 -12.501 32.660 49.604 1.00 64.09 N ATOM 29 CA TYR 190 -12.657 32.482 51.023 1.00 64.09 C ATOM 30 CB TYR 190 -11.487 31.720 51.669 1.00 64.09 C ATOM 31 CG TYR 190 -11.530 30.369 51.048 1.00 64.09 C ATOM 32 CD1 TYR 190 -12.301 29.372 51.595 1.00 64.09 C ATOM 33 CD2 TYR 190 -10.812 30.114 49.903 1.00 64.09 C ATOM 34 CE1 TYR 190 -12.346 28.131 51.009 1.00 64.09 C ATOM 35 CE2 TYR 190 -10.855 28.874 49.313 1.00 64.09 C ATOM 36 CZ TYR 190 -11.620 27.878 49.870 1.00 64.09 C ATOM 37 OH TYR 190 -11.667 26.601 49.268 1.00 64.09 O ATOM 38 C TYR 190 -12.768 33.811 51.684 1.00 64.09 C ATOM 39 O TYR 190 -11.862 34.638 51.599 1.00 64.09 O ATOM 40 N THR 191 -13.896 34.032 52.390 1.00105.74 N ATOM 41 CA THR 191 -14.130 35.299 53.016 1.00105.74 C ATOM 42 CB THR 191 -15.465 35.886 52.675 1.00105.74 C ATOM 43 OG1 THR 191 -16.498 35.042 53.161 1.00105.74 O ATOM 44 CG2 THR 191 -15.570 36.028 51.147 1.00105.74 C ATOM 45 C THR 191 -14.096 35.134 54.503 1.00105.74 C ATOM 46 O THR 191 -14.552 34.128 55.047 1.00105.74 O ATOM 47 N CYS 192 -13.518 36.144 55.184 1.00 44.67 N ATOM 48 CA CYS 192 -13.408 36.177 56.615 1.00 44.67 C ATOM 49 CB CYS 192 -12.375 37.215 57.103 1.00 44.67 C ATOM 50 SG CYS 192 -12.219 37.277 58.914 1.00 44.67 S ATOM 51 C CYS 192 -14.750 36.548 57.170 1.00 44.67 C ATOM 52 O CYS 192 -15.378 37.511 56.733 1.00 44.67 O ATOM 53 N GLN 193 -15.226 35.787 58.172 1.00 82.06 N ATOM 54 CA GLN 193 -16.520 36.028 58.737 1.00 82.06 C ATOM 55 CB GLN 193 -16.912 34.959 59.771 1.00 82.06 C ATOM 56 CG GLN 193 -17.067 33.544 59.198 1.00 82.06 C ATOM 57 CD GLN 193 -15.695 32.893 59.044 1.00 82.06 C ATOM 58 OE1 GLN 193 -14.953 33.184 58.108 1.00 82.06 O ATOM 59 NE2 GLN 193 -15.357 31.969 59.982 1.00 82.06 N ATOM 60 C GLN 193 -16.513 37.348 59.440 1.00 82.06 C ATOM 61 O GLN 193 -17.469 38.118 59.350 1.00 82.06 O ATOM 62 N GLN 194 -15.437 37.629 60.197 1.00 68.21 N ATOM 63 CA GLN 194 -15.427 38.830 60.982 1.00 68.21 C ATOM 64 CB GLN 194 -14.276 38.802 62.003 1.00 68.21 C ATOM 65 CG GLN 194 -14.289 39.950 63.010 1.00 68.21 C ATOM 66 CD GLN 194 -13.133 39.711 63.966 1.00 68.21 C ATOM 67 OE1 GLN 194 -12.466 38.679 63.905 1.00 68.21 O ATOM 68 NE2 GLN 194 -12.891 40.684 64.884 1.00 68.21 N ATOM 69 C GLN 194 -15.299 40.087 60.163 1.00 68.21 C ATOM 70 O GLN 194 -16.169 40.957 60.220 1.00 68.21 O ATOM 71 N CYS 195 -14.191 40.200 59.397 1.00106.14 N ATOM 72 CA CYS 195 -13.820 41.341 58.595 1.00106.14 C ATOM 73 CB CYS 195 -12.334 41.288 58.209 1.00106.14 C ATOM 74 SG CYS 195 -11.826 42.694 57.185 1.00106.14 S ATOM 75 C CYS 195 -14.593 41.456 57.314 1.00106.14 C ATOM 76 O CYS 195 -15.017 42.545 56.931 1.00106.14 O ATOM 77 N GLY 196 -14.793 40.330 56.604 1.00 26.57 N ATOM 78 CA GLY 196 -15.453 40.375 55.329 1.00 26.57 C ATOM 79 C GLY 196 -14.412 40.416 54.243 1.00 26.57 C ATOM 80 O GLY 196 -14.745 40.485 53.061 1.00 26.57 O ATOM 81 N LYS 197 -13.116 40.371 54.618 1.00 62.90 N ATOM 82 CA LYS 197 -12.036 40.406 53.666 1.00 62.90 C ATOM 83 CB LYS 197 -10.679 40.685 54.341 1.00 62.90 C ATOM 84 CG LYS 197 -9.522 41.012 53.394 1.00 62.90 C ATOM 85 CD LYS 197 -8.352 41.681 54.122 1.00 62.90 C ATOM 86 CE LYS 197 -7.101 41.902 53.268 1.00 62.90 C ATOM 87 NZ LYS 197 -6.096 42.664 54.047 1.00 62.90 N ATOM 88 C LYS 197 -11.974 39.074 52.968 1.00 62.90 C ATOM 89 O LYS 197 -12.225 38.038 53.581 1.00 62.90 O ATOM 90 N SER 198 -11.615 39.071 51.662 1.00 53.47 N ATOM 91 CA SER 198 -11.613 37.858 50.883 1.00 53.47 C ATOM 92 CB SER 198 -12.369 37.991 49.550 1.00 53.47 C ATOM 93 OG SER 198 -13.741 38.264 49.790 1.00 53.47 O ATOM 94 C SER 198 -10.206 37.488 50.531 1.00 53.47 C ATOM 95 O SER 198 -9.344 38.353 50.380 1.00 53.47 O ATOM 96 N PHE 199 -9.951 36.167 50.385 1.00144.05 N ATOM 97 CA PHE 199 -8.626 35.673 50.111 1.00144.05 C ATOM 98 CB PHE 199 -8.026 34.922 51.314 1.00144.05 C ATOM 99 CG PHE 199 -7.889 35.877 52.452 1.00144.05 C ATOM 100 CD1 PHE 199 -8.953 36.128 53.288 1.00144.05 C ATOM 101 CD2 PHE 199 -6.700 36.534 52.671 1.00144.05 C ATOM 102 CE1 PHE 199 -8.825 37.006 54.337 1.00144.05 C ATOM 103 CE2 PHE 199 -6.566 37.412 53.718 1.00144.05 C ATOM 104 CZ PHE 199 -7.632 37.650 54.554 1.00144.05 C ATOM 105 C PHE 199 -8.685 34.670 48.998 1.00144.05 C ATOM 106 O PHE 199 -9.684 33.979 48.812 1.00144.05 O ATOM 107 N SER 200 -7.600 34.583 48.204 1.00 84.83 N ATOM 108 CA SER 200 -7.508 33.623 47.139 1.00 84.83 C ATOM 109 CB SER 200 -6.349 33.909 46.173 1.00 84.83 C ATOM 110 OG SER 200 -6.585 35.132 45.498 1.00 84.83 O ATOM 111 C SER 200 -7.257 32.264 47.715 1.00 84.83 C ATOM 112 O SER 200 -7.617 31.256 47.108 1.00 84.83 O ATOM 113 N GLN 201 -6.627 32.192 48.906 1.00 50.19 N ATOM 114 CA GLN 201 -6.252 30.900 49.413 1.00 50.19 C ATOM 115 CB GLN 201 -4.732 30.714 49.487 1.00 50.19 C ATOM 116 CG GLN 201 -4.045 30.750 48.125 1.00 50.19 C ATOM 117 CD GLN 201 -2.551 30.877 48.381 1.00 50.19 C ATOM 118 OE1 GLN 201 -2.082 31.895 48.888 1.00 50.19 O ATOM 119 NE2 GLN 201 -1.777 29.822 48.013 1.00 50.19 N ATOM 120 C GLN 201 -6.766 30.705 50.805 1.00 50.19 C ATOM 121 O GLN 201 -6.835 31.639 51.602 1.00 50.19 O ATOM 122 N LYS 202 -7.128 29.446 51.129 1.00106.55 N ATOM 123 CA LYS 202 -7.660 29.109 52.416 1.00106.55 C ATOM 124 CB LYS 202 -8.094 27.637 52.536 1.00106.55 C ATOM 125 CG LYS 202 -9.058 27.391 53.700 1.00106.55 C ATOM 126 CD LYS 202 -9.517 25.935 53.858 1.00106.55 C ATOM 127 CE LYS 202 -9.553 25.132 52.556 1.00106.55 C ATOM 128 NZ LYS 202 -10.668 25.587 51.700 1.00106.55 N ATOM 129 C LYS 202 -6.608 29.337 53.458 1.00106.55 C ATOM 130 O LYS 202 -6.910 29.828 54.542 1.00106.55 O ATOM 131 N SER 203 -5.341 28.995 53.153 1.00 64.87 N ATOM 132 CA SER 203 -4.285 29.089 54.121 1.00 64.87 C ATOM 133 CB SER 203 -2.938 28.566 53.582 1.00 64.87 C ATOM 134 OG SER 203 -1.934 28.639 54.585 1.00 64.87 O ATOM 135 C SER 203 -4.111 30.516 54.540 1.00 64.87 C ATOM 136 O SER 203 -3.881 30.800 55.715 1.00 64.87 O ATOM 137 N SER 204 -4.218 31.457 53.583 1.00 26.89 N ATOM 138 CA SER 204 -4.039 32.842 53.898 1.00 26.89 C ATOM 139 CB SER 204 -4.051 33.741 52.652 1.00 26.89 C ATOM 140 OG SER 204 -2.904 33.482 51.855 1.00 26.89 O ATOM 141 C SER 204 -5.153 33.287 54.793 1.00 26.89 C ATOM 142 O SER 204 -4.929 34.038 55.741 1.00 26.89 O ATOM 143 N LEU 205 -6.389 32.823 54.523 1.00102.48 N ATOM 144 CA LEU 205 -7.521 33.212 55.318 1.00102.48 C ATOM 145 CB LEU 205 -8.834 32.582 54.807 1.00102.48 C ATOM 146 CG LEU 205 -10.109 32.920 55.612 1.00102.48 C ATOM 147 CD1 LEU 205 -10.174 32.166 56.949 1.00102.48 C ATOM 148 CD2 LEU 205 -10.277 34.438 55.776 1.00102.48 C ATOM 149 C LEU 205 -7.294 32.736 56.714 1.00102.48 C ATOM 150 O LEU 205 -7.547 33.454 57.680 1.00102.48 O ATOM 151 N ARG 206 -6.766 31.509 56.843 1.00111.72 N ATOM 152 CA ARG 206 -6.576 30.878 58.114 1.00111.72 C ATOM 153 CB ARG 206 -5.915 29.499 57.939 1.00111.72 C ATOM 154 CG ARG 206 -5.985 28.582 59.159 1.00111.72 C ATOM 155 CD ARG 206 -5.417 27.193 58.858 1.00111.72 C ATOM 156 NE ARG 206 -6.134 26.687 57.652 1.00111.72 N ATOM 157 CZ ARG 206 -7.133 25.764 57.767 1.00111.72 C ATOM 158 NH1 ARG 206 -7.386 25.172 58.971 1.00111.72 N ATOM 159 NH2 ARG 206 -7.879 25.437 56.671 1.00111.72 N ATOM 160 C ARG 206 -5.679 31.730 58.954 1.00111.72 C ATOM 161 O ARG 206 -5.955 31.945 60.133 1.00111.72 O ATOM 162 N SER 207 -4.583 32.253 58.373 1.00 21.33 N ATOM 163 CA SER 207 -3.669 33.053 59.140 1.00 21.33 C ATOM 164 CB SER 207 -2.442 33.510 58.338 1.00 21.33 C ATOM 165 OG SER 207 -2.839 34.428 57.330 1.00 21.33 O ATOM 166 C SER 207 -4.386 34.296 59.560 1.00 21.33 C ATOM 167 O SER 207 -4.221 34.779 60.680 1.00 21.33 O ATOM 168 N HIS 208 -5.229 34.831 58.658 1.00 45.38 N ATOM 169 CA HIS 208 -5.936 36.049 58.919 1.00 45.38 C ATOM 170 ND1 HIS 208 -6.823 39.022 57.925 1.00 45.38 N ATOM 171 CG HIS 208 -7.484 37.813 57.949 1.00 45.38 C ATOM 172 CB HIS 208 -6.821 36.483 57.736 1.00 45.38 C ATOM 173 NE2 HIS 208 -8.958 39.474 58.348 1.00 45.38 N ATOM 174 CD2 HIS 208 -8.787 38.108 58.207 1.00 45.38 C ATOM 175 CE1 HIS 208 -7.751 39.980 58.170 1.00 45.38 C ATOM 176 C HIS 208 -6.837 35.840 60.096 1.00 45.38 C ATOM 177 O HIS 208 -6.943 36.704 60.964 1.00 45.38 O ATOM 178 N ILE 209 -7.477 34.659 60.172 1.00 86.82 N ATOM 179 CA ILE 209 -8.442 34.386 61.198 1.00 86.82 C ATOM 180 CB ILE 209 -9.013 32.996 61.099 1.00 86.82 C ATOM 181 CG1 ILE 209 -9.808 32.840 59.795 1.00 86.82 C ATOM 182 CG2 ILE 209 -9.860 32.731 62.355 1.00 86.82 C ATOM 183 CD1 ILE 209 -10.967 33.830 59.682 1.00 86.82 C ATOM 184 C ILE 209 -7.819 34.512 62.554 1.00 86.82 C ATOM 185 O ILE 209 -8.416 35.114 63.446 1.00 86.82 O ATOM 186 N ILE 210 -6.607 33.960 62.758 1.00 17.21 N ATOM 187 CA ILE 210 -6.011 34.033 64.063 1.00 17.21 C ATOM 188 CB ILE 210 -4.628 33.442 64.139 1.00 17.21 C ATOM 189 CG1 ILE 210 -4.676 31.935 63.843 1.00 17.21 C ATOM 190 CG2 ILE 210 -4.042 33.765 65.525 1.00 17.21 C ATOM 191 CD1 ILE 210 -3.295 31.309 63.658 1.00 17.21 C ATOM 192 C ILE 210 -5.915 35.499 64.481 1.00 17.21 C ATOM 193 O ILE 210 -6.361 35.819 65.615 1.00 17.21 O ATOM 194 OXT ILE 210 -5.399 36.317 63.675 1.00 17.21 O