EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:48 REMARK 6 MODELLER OBJECTIVE FUNCTION: 110.8117 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1459.94470 REMARK 6 GA341 score: 0.83392 REMARK 6 Normalized DOPE score: -0.43907 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 47.8% ATOM 1 N GLU 175 0.347 45.474 55.241 1.00 89.89 N ATOM 2 CA GLU 175 1.258 45.815 56.347 1.00 89.89 C ATOM 3 CB GLU 175 0.438 46.292 57.553 1.00 89.89 C ATOM 4 CG GLU 175 -0.361 47.575 57.273 1.00 89.89 C ATOM 5 CD GLU 175 0.610 48.738 57.061 1.00 89.89 C ATOM 6 OE1 GLU 175 1.617 48.813 57.814 1.00 89.89 O ATOM 7 OE2 GLU 175 0.355 49.562 56.141 1.00 89.89 O ATOM 8 C GLU 175 2.059 44.599 56.696 1.00 89.89 C ATOM 9 O GLU 175 2.277 43.734 55.850 1.00 89.89 O ATOM 10 N LYS 176 2.553 44.486 57.940 1.00106.71 N ATOM 11 CA LYS 176 3.385 43.343 58.199 1.00106.71 C ATOM 12 CB LYS 176 4.832 43.774 58.472 1.00106.71 C ATOM 13 CG LYS 176 4.913 45.125 59.186 1.00106.71 C ATOM 14 CD LYS 176 6.346 45.536 59.535 1.00106.71 C ATOM 15 CE LYS 176 6.456 46.876 60.270 1.00106.71 C ATOM 16 NZ LYS 176 7.714 46.910 61.049 1.00106.71 N ATOM 17 C LYS 176 2.825 42.549 59.337 1.00106.71 C ATOM 18 O LYS 176 3.008 42.847 60.513 1.00106.71 O ATOM 19 N PRO 177 2.100 41.543 58.921 1.00 88.43 N ATOM 20 CA PRO 177 1.418 40.617 59.790 1.00 88.43 C ATOM 21 CD PRO 177 1.482 41.594 57.607 1.00 88.43 C ATOM 22 CB PRO 177 0.303 39.990 58.949 1.00 88.43 C ATOM 23 CG PRO 177 0.704 40.276 57.495 1.00 88.43 C ATOM 24 C PRO 177 2.220 39.575 60.505 1.00 88.43 C ATOM 25 O PRO 177 1.675 38.976 61.431 1.00 88.43 O ATOM 26 N PHE 178 3.477 39.298 60.109 1.00141.59 N ATOM 27 CA PHE 178 4.120 38.204 60.774 1.00141.59 C ATOM 28 CB PHE 178 4.717 37.151 59.837 1.00141.59 C ATOM 29 CG PHE 178 3.509 36.383 59.440 1.00141.59 C ATOM 30 CD1 PHE 178 3.092 35.347 60.237 1.00141.59 C ATOM 31 CD2 PHE 178 2.777 36.712 58.322 1.00141.59 C ATOM 32 CE1 PHE 178 1.972 34.621 59.910 1.00141.59 C ATOM 33 CE2 PHE 178 1.656 35.988 57.989 1.00141.59 C ATOM 34 CZ PHE 178 1.254 34.942 58.785 1.00141.59 C ATOM 35 C PHE 178 5.124 38.669 61.765 1.00141.59 C ATOM 36 O PHE 178 6.028 39.441 61.474 1.00141.59 O ATOM 37 N THR 179 4.981 38.124 62.985 1.00116.49 N ATOM 38 CA THR 179 5.739 38.562 64.109 1.00116.49 C ATOM 39 CB THR 179 4.819 38.881 65.242 0.50116.49 C ATOM 40 OG1 THR 179 5.543 39.325 66.377 1.00116.49 O ATOM 41 CG2 THR 179 4.008 37.614 65.564 1.00116.49 C ATOM 42 C THR 179 6.667 37.487 64.578 1.00116.49 C ATOM 43 O THR 179 6.314 36.310 64.648 1.00116.49 O ATOM 44 N CYS 180 7.902 37.899 64.922 1.00 46.20 N ATOM 45 CA CYS 180 8.881 37.006 65.461 1.00 46.20 C ATOM 46 CB CYS 180 10.319 37.446 65.125 1.00 46.20 C ATOM 47 SG CYS 180 11.584 36.333 65.806 1.00 46.20 S ATOM 48 C CYS 180 8.709 37.041 66.953 1.00 46.20 C ATOM 49 O CYS 180 8.644 38.108 67.563 1.00 46.20 O ATOM 50 N SER 181 8.613 35.850 67.573 1.00 86.38 N ATOM 51 CA SER 181 8.376 35.708 68.982 1.00 86.38 C ATOM 52 CB SER 181 8.155 34.238 69.396 1.00 86.38 C ATOM 53 OG SER 181 9.332 33.464 69.203 1.00 86.38 O ATOM 54 C SER 181 9.519 36.248 69.793 1.00 86.38 C ATOM 55 O SER 181 9.302 36.904 70.812 1.00 86.38 O ATOM 56 N GLN 182 10.777 35.946 69.417 1.00118.16 N ATOM 57 CA GLN 182 11.841 36.422 70.261 1.00118.16 C ATOM 58 CB GLN 182 13.177 35.673 70.036 1.00118.16 C ATOM 59 CG GLN 182 13.819 35.838 68.652 1.00118.16 C ATOM 60 CD GLN 182 15.105 35.002 68.600 1.00118.16 C ATOM 61 OE1 GLN 182 15.079 33.781 68.755 1.00118.16 O ATOM 62 NE2 GLN 182 16.265 35.672 68.360 1.00118.16 N ATOM 63 C GLN 182 12.077 37.906 70.147 1.00118.16 C ATOM 64 O GLN 182 12.085 38.615 71.154 1.00118.16 O ATOM 65 N CYS 183 12.281 38.407 68.913 1.00116.33 N ATOM 66 CA CYS 183 12.587 39.782 68.624 1.00116.33 C ATOM 67 CB CYS 183 13.201 39.919 67.221 1.00116.33 C ATOM 68 SG CYS 183 13.460 41.639 66.724 1.00116.33 S ATOM 69 C CYS 183 11.398 40.703 68.718 1.00116.33 C ATOM 70 O CYS 183 11.556 41.850 69.132 1.00116.33 O ATOM 71 N VAL 184 10.200 40.204 68.342 1.00200.63 N ATOM 72 CA VAL 184 8.927 40.873 68.170 1.00200.63 C ATOM 73 CB VAL 184 8.347 41.669 69.319 1.00200.63 C ATOM 74 CG1 VAL 184 8.180 40.753 70.542 1.00200.63 C ATOM 75 CG2 VAL 184 9.115 42.987 69.516 1.00200.63 C ATOM 76 C VAL 184 8.995 41.792 66.988 1.00200.63 C ATOM 77 O VAL 184 8.193 42.715 66.864 1.00200.63 O ATOM 78 N LYS 185 9.941 41.543 66.062 1.00 70.76 N ATOM 79 CA LYS 185 10.026 42.295 64.840 1.00 70.76 C ATOM 80 CB LYS 185 11.363 42.014 64.121 1.00 70.76 C ATOM 81 CG LYS 185 11.664 42.831 62.865 1.00 70.76 C ATOM 82 CD LYS 185 13.119 42.665 62.420 1.00 70.76 C ATOM 83 CE LYS 185 13.556 43.553 61.255 1.00 70.76 C ATOM 84 NZ LYS 185 15.028 43.486 61.104 1.00 70.76 N ATOM 85 C LYS 185 8.893 41.795 63.988 1.00 70.76 C ATOM 86 O LYS 185 8.561 40.611 64.050 1.00 70.76 O ATOM 87 N SER 186 8.239 42.675 63.192 1.00 92.59 N ATOM 88 CA SER 186 7.169 42.174 62.366 1.00 92.59 C ATOM 89 CB SER 186 5.805 42.879 62.527 1.00 92.59 C ATOM 90 OG SER 186 5.794 44.141 61.879 1.00 92.59 O ATOM 91 C SER 186 7.598 42.293 60.939 1.00 92.59 C ATOM 92 O SER 186 8.384 43.173 60.586 1.00 92.59 O ATOM 93 N PHE 187 7.102 41.381 60.079 1.00 62.40 N ATOM 94 CA PHE 187 7.549 41.375 58.719 1.00 62.40 C ATOM 95 CB PHE 187 8.414 40.153 58.379 1.00 62.40 C ATOM 96 CG PHE 187 9.664 40.226 59.191 1.00 62.40 C ATOM 97 CD1 PHE 187 9.688 39.776 60.492 1.00 62.40 C ATOM 98 CD2 PHE 187 10.823 40.740 58.654 1.00 62.40 C ATOM 99 CE1 PHE 187 10.839 39.840 61.243 1.00 62.40 C ATOM 100 CE2 PHE 187 11.978 40.805 59.400 1.00 62.40 C ATOM 101 CZ PHE 187 11.990 40.351 60.696 1.00 62.40 C ATOM 102 C PHE 187 6.373 41.344 57.795 1.00 62.40 C ATOM 103 O PHE 187 5.312 40.804 58.105 1.00 62.40 O ATOM 104 N SER 188 6.551 41.974 56.620 1.00 43.88 N ATOM 105 CA SER 188 5.551 42.040 55.600 1.00 43.88 C ATOM 106 CB SER 188 5.883 43.089 54.518 1.00 43.88 C ATOM 107 OG SER 188 7.097 42.752 53.859 1.00 43.88 O ATOM 108 C SER 188 5.434 40.696 54.954 1.00 43.88 C ATOM 109 O SER 188 4.370 40.333 54.452 1.00 43.88 O ATOM 110 N CYS 189 6.534 39.914 54.964 1.00 81.68 N ATOM 111 CA CYS 189 6.502 38.659 54.270 1.00 81.68 C ATOM 112 CB CYS 189 7.609 38.539 53.214 1.00 81.68 C ATOM 113 SG CYS 189 7.538 36.958 52.327 1.00 81.68 S ATOM 114 C CYS 189 6.687 37.526 55.229 1.00 81.68 C ATOM 115 O CYS 189 7.575 37.540 56.080 1.00 81.68 O ATOM 116 N SER 190 5.835 36.494 55.080 1.00 79.14 N ATOM 117 CA SER 190 5.858 35.328 55.907 1.00 79.14 C ATOM 118 CB SER 190 4.684 34.395 55.586 1.00 79.14 C ATOM 119 OG SER 190 3.467 35.106 55.745 1.00 79.14 O ATOM 120 C SER 190 7.129 34.573 55.657 1.00 79.14 C ATOM 121 O SER 190 7.698 33.986 56.575 1.00 79.14 O ATOM 122 N SER 191 7.610 34.569 54.400 1.00 70.16 N ATOM 123 CA SER 191 8.809 33.856 54.055 1.00 70.16 C ATOM 124 CB SER 191 9.152 33.966 52.559 1.00 70.16 C ATOM 125 OG SER 191 8.149 33.323 51.786 1.00 70.16 O ATOM 126 C SER 191 9.945 34.464 54.807 1.00 70.16 C ATOM 127 O SER 191 10.799 33.760 55.344 1.00 70.16 O ATOM 128 N HIS 192 9.972 35.806 54.876 1.00 50.26 N ATOM 129 CA HIS 192 11.049 36.473 55.547 1.00 50.26 C ATOM 130 ND1 HIS 192 12.253 37.828 53.219 1.00 50.26 N ATOM 131 CG HIS 192 11.346 38.460 54.034 1.00 50.26 C ATOM 132 CB HIS 192 11.039 38.004 55.424 1.00 50.26 C ATOM 133 NE2 HIS 192 11.467 39.563 52.071 1.00 50.26 N ATOM 134 CD2 HIS 192 10.873 39.520 53.321 1.00 50.26 C ATOM 135 CE1 HIS 192 12.286 38.528 52.054 1.00 50.26 C ATOM 136 C HIS 192 11.012 36.151 57.004 1.00 50.26 C ATOM 137 O HIS 192 12.059 36.016 57.634 1.00 50.26 O ATOM 138 N LEU 193 9.805 36.047 57.592 1.00 40.47 N ATOM 139 CA LEU 193 9.725 35.737 58.990 1.00 40.47 C ATOM 140 CB LEU 193 8.294 35.712 59.560 0.50 40.47 C ATOM 141 CG LEU 193 8.251 35.375 61.065 0.50 40.47 C ATOM 142 CD1 LEU 193 8.963 36.447 61.905 0.50 40.47 C ATOM 143 CD2 LEU 193 6.807 35.159 61.537 0.50 40.47 C ATOM 144 C LEU 193 10.302 34.379 59.220 1.00 40.47 C ATOM 145 O LEU 193 11.056 34.182 60.170 1.00 40.47 O ATOM 146 N ASN 194 9.986 33.408 58.344 1.00 63.62 N ATOM 147 CA ASN 194 10.445 32.064 58.543 1.00 63.62 C ATOM 148 CB ASN 194 9.970 31.119 57.420 1.00 63.62 C ATOM 149 CG ASN 194 10.251 29.676 57.818 1.00 63.62 C ATOM 150 OD1 ASN 194 11.080 29.407 58.685 1.00 63.62 O ATOM 151 ND2 ASN 194 9.548 28.718 57.154 1.00 63.62 N ATOM 152 C ASN 194 11.944 32.068 58.563 1.00 63.62 C ATOM 153 O ASN 194 12.553 31.451 59.435 1.00 63.62 O ATOM 154 N LYS 195 12.590 32.775 57.617 1.00 50.43 N ATOM 155 CA LYS 195 14.024 32.782 57.616 1.00 50.43 C ATOM 156 CB LYS 195 14.631 33.595 56.453 1.00 50.43 C ATOM 157 CG LYS 195 14.451 32.993 55.056 1.00 50.43 C ATOM 158 CD LYS 195 14.815 33.985 53.948 1.00 50.43 C ATOM 159 CE LYS 195 14.582 33.450 52.534 1.00 50.43 C ATOM 160 NZ LYS 195 15.605 32.442 52.184 1.00 50.43 N ATOM 161 C LYS 195 14.464 33.418 58.902 1.00 50.43 C ATOM 162 O LYS 195 15.435 32.993 59.528 1.00 50.43 O ATOM 163 N HIS 196 13.724 34.447 59.346 1.00 88.19 N ATOM 164 CA HIS 196 14.107 35.163 60.522 1.00 88.19 C ATOM 165 ND1 HIS 196 12.973 37.370 63.136 1.00 88.19 N ATOM 166 CG HIS 196 13.626 37.240 61.931 1.00 88.19 C ATOM 167 CB HIS 196 13.169 36.352 60.809 1.00 88.19 C ATOM 168 NE2 HIS 196 14.755 38.695 63.234 1.00 88.19 N ATOM 169 CD2 HIS 196 14.713 38.058 62.008 1.00 88.19 C ATOM 170 CE1 HIS 196 13.690 38.252 63.879 1.00 88.19 C ATOM 171 C HIS 196 14.110 34.230 61.700 1.00 88.19 C ATOM 172 O HIS 196 15.074 34.219 62.465 1.00 88.19 O ATOM 173 N MET 197 13.059 33.395 61.867 1.00 32.48 N ATOM 174 CA MET 197 13.020 32.475 62.979 1.00 32.48 C ATOM 175 CB MET 197 11.878 31.428 62.953 1.00 32.48 C ATOM 176 CG MET 197 10.454 31.940 63.213 1.00 32.48 C ATOM 177 SD MET 197 9.213 30.612 63.374 1.00 32.48 S ATOM 178 CE MET 197 7.801 31.743 63.552 1.00 32.48 C ATOM 179 C MET 197 14.298 31.645 62.991 1.00 32.48 C ATOM 180 O MET 197 14.521 30.944 64.018 1.00 32.48 O ATOM 181 OXT MET 197 15.053 31.680 61.987 1.00 32.48 O