EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:46 REMARK 6 MODELLER OBJECTIVE FUNCTION: 91.3433 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 52.174 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1301.69604 REMARK 6 GA341 score: 0.97441 REMARK 6 Normalized DOPE score: -1.00353 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 52.2% ATOM 1 N ASP 147 -10.534 29.182 41.918 1.00 58.46 N ATOM 2 CA ASP 147 -10.450 30.405 42.748 1.00 58.46 C ATOM 3 CB ASP 147 -11.770 31.188 42.682 1.00 58.46 C ATOM 4 CG ASP 147 -11.499 32.618 43.128 1.00 58.46 C ATOM 5 OD1 ASP 147 -10.312 33.042 43.095 1.00 58.46 O ATOM 6 OD2 ASP 147 -12.483 33.310 43.497 1.00 58.46 O ATOM 7 C ASP 147 -10.215 29.992 44.164 1.00 58.46 C ATOM 8 O ASP 147 -9.290 29.233 44.444 1.00 58.46 O ATOM 9 N LYS 148 -11.044 30.502 45.101 1.00 89.31 N ATOM 10 CA LYS 148 -10.922 30.127 46.483 1.00 89.31 C ATOM 11 CB LYS 148 -10.743 31.337 47.420 1.00 89.31 C ATOM 12 CG LYS 148 -9.423 32.089 47.216 1.00 89.31 C ATOM 13 CD LYS 148 -9.316 32.814 45.871 1.00 89.31 C ATOM 14 CE LYS 148 -7.985 33.543 45.660 1.00 89.31 C ATOM 15 NZ LYS 148 -7.893 34.059 44.273 1.00 89.31 N ATOM 16 C LYS 148 -12.214 29.470 46.875 1.00 89.31 C ATOM 17 O LYS 148 -13.208 30.141 47.143 1.00 89.31 O ATOM 18 N PRO 149 -12.216 28.163 46.885 1.00110.37 N ATOM 19 CA PRO 149 -13.395 27.410 47.248 1.00110.37 C ATOM 20 CD PRO 149 -11.415 27.457 45.897 1.00110.37 C ATOM 21 CB PRO 149 -13.158 25.990 46.724 1.00110.37 C ATOM 22 CG PRO 149 -12.205 26.190 45.534 1.00110.37 C ATOM 23 C PRO 149 -13.824 27.424 48.690 1.00110.37 C ATOM 24 O PRO 149 -15.015 27.243 48.945 1.00110.37 O ATOM 25 N PHE 150 -12.908 27.619 49.658 1.00 71.97 N ATOM 26 CA PHE 150 -13.350 27.504 51.020 1.00 71.97 C ATOM 27 CB PHE 150 -12.518 26.518 51.856 1.00 71.97 C ATOM 28 CG PHE 150 -12.962 25.175 51.386 1.00 71.97 C ATOM 29 CD1 PHE 150 -14.034 24.550 51.982 1.00 71.97 C ATOM 30 CD2 PHE 150 -12.327 24.556 50.336 1.00 71.97 C ATOM 31 CE1 PHE 150 -14.453 23.315 51.544 1.00 71.97 C ATOM 32 CE2 PHE 150 -12.744 23.322 49.896 1.00 71.97 C ATOM 33 CZ PHE 150 -13.804 22.694 50.504 1.00 71.97 C ATOM 34 C PHE 150 -13.364 28.841 51.682 1.00 71.97 C ATOM 35 O PHE 150 -12.371 29.568 51.691 1.00 71.97 O ATOM 36 N THR 151 -14.521 29.169 52.291 1.00107.71 N ATOM 37 CA THR 151 -14.726 30.450 52.899 1.00107.71 C ATOM 38 CB THR 151 -15.960 31.124 52.359 1.00107.71 C ATOM 39 OG1 THR 151 -16.147 32.395 52.963 1.00107.71 O ATOM 40 CG2 THR 151 -17.172 30.216 52.621 1.00107.71 C ATOM 41 C THR 151 -14.904 30.275 54.378 1.00107.71 C ATOM 42 O THR 151 -15.507 29.307 54.843 1.00107.71 O ATOM 43 N CYS 152 -14.339 31.214 55.166 1.00 43.95 N ATOM 44 CA CYS 152 -14.491 31.169 56.596 1.00 43.95 C ATOM 45 CB CYS 152 -13.384 31.915 57.373 1.00 43.95 C ATOM 46 SG CYS 152 -13.563 31.755 59.179 1.00 43.95 S ATOM 47 C CYS 152 -15.798 31.819 56.940 1.00 43.95 C ATOM 48 O CYS 152 -16.138 32.883 56.424 1.00 43.95 O ATOM 49 N THR 153 -16.568 31.193 57.846 1.00 42.78 N ATOM 50 CA THR 153 -17.843 31.735 58.209 1.00 42.78 C ATOM 51 CB THR 153 -18.568 30.884 59.207 1.00 42.78 C ATOM 52 OG1 THR 153 -18.834 29.600 58.666 1.00 42.78 O ATOM 53 CG2 THR 153 -19.879 31.587 59.591 1.00 42.78 C ATOM 54 C THR 153 -17.685 33.077 58.855 1.00 42.78 C ATOM 55 O THR 153 -18.412 34.015 58.533 1.00 42.78 O ATOM 56 N GLN 154 -16.753 33.198 59.818 1.00 67.78 N ATOM 57 CA GLN 154 -16.688 34.434 60.540 1.00 67.78 C ATOM 58 CB GLN 154 -15.787 34.322 61.783 1.00 67.78 C ATOM 59 CG GLN 154 -15.750 35.596 62.623 1.00 67.78 C ATOM 60 CD GLN 154 -14.905 35.328 63.854 1.00 67.78 C ATOM 61 OE1 GLN 154 -14.411 34.221 64.060 1.00 67.78 O ATOM 62 NE2 GLN 154 -14.740 36.374 64.705 1.00 67.78 N ATOM 63 C GLN 154 -16.194 35.589 59.717 1.00 67.78 C ATOM 64 O GLN 154 -16.883 36.601 59.582 1.00 67.78 O ATOM 65 N CYS 155 -14.970 35.458 59.170 1.00 99.84 N ATOM 66 CA CYS 155 -14.298 36.506 58.445 1.00 99.84 C ATOM 67 CB CYS 155 -12.799 36.209 58.279 1.00 99.84 C ATOM 68 SG CYS 155 -11.957 37.454 57.270 1.00 99.84 S ATOM 69 C CYS 155 -14.851 36.705 57.069 1.00 99.84 C ATOM 70 O CYS 155 -15.005 37.830 56.598 1.00 99.84 O ATOM 71 N GLY 156 -15.154 35.601 56.369 1.00 26.17 N ATOM 72 CA GLY 156 -15.577 35.719 55.006 1.00 26.17 C ATOM 73 C GLY 156 -14.355 35.564 54.142 1.00 26.17 C ATOM 74 O GLY 156 -14.436 35.693 52.924 1.00 26.17 O ATOM 75 N LYS 157 -13.186 35.291 54.766 1.00132.12 N ATOM 76 CA LYS 157 -11.915 35.086 54.108 1.00132.12 C ATOM 77 CB LYS 157 -10.796 34.821 55.141 1.00132.12 C ATOM 78 CG LYS 157 -9.372 34.656 54.595 1.00132.12 C ATOM 79 CD LYS 157 -8.711 35.985 54.229 1.00132.12 C ATOM 80 CE LYS 157 -7.210 36.040 54.530 1.00132.12 C ATOM 81 NZ LYS 157 -6.499 34.875 53.958 1.00132.12 N ATOM 82 C LYS 157 -12.039 33.839 53.276 1.00132.12 C ATOM 83 O LYS 157 -12.648 32.862 53.718 1.00132.12 O ATOM 84 N SER 158 -11.471 33.826 52.048 1.00 47.79 N ATOM 85 CA SER 158 -11.576 32.644 51.237 1.00 47.79 C ATOM 86 CB SER 158 -12.165 32.913 49.845 1.00 47.79 C ATOM 87 OG SER 158 -13.523 33.309 49.956 1.00 47.79 O ATOM 88 C SER 158 -10.198 32.101 51.017 1.00 47.79 C ATOM 89 O SER 158 -9.227 32.862 50.977 1.00 47.79 O ATOM 90 N PHE 159 -10.088 30.761 50.874 1.00 81.28 N ATOM 91 CA PHE 159 -8.796 30.167 50.692 1.00 81.28 C ATOM 92 CB PHE 159 -8.311 29.412 51.939 1.00 81.28 C ATOM 93 CG PHE 159 -8.275 30.327 53.119 1.00 81.28 C ATOM 94 CD1 PHE 159 -7.214 31.181 53.333 1.00 81.28 C ATOM 95 CD2 PHE 159 -9.303 30.305 54.032 1.00 81.28 C ATOM 96 CE1 PHE 159 -7.182 32.002 54.440 1.00 81.28 C ATOM 97 CE2 PHE 159 -9.268 31.124 55.132 1.00 81.28 C ATOM 98 CZ PHE 159 -8.214 31.975 55.345 1.00 81.28 C ATOM 99 C PHE 159 -8.934 29.118 49.624 1.00 81.28 C ATOM 100 O PHE 159 -9.979 28.490 49.467 1.00 81.28 O ATOM 101 N SER 160 -7.876 28.913 48.824 1.00 45.53 N ATOM 102 CA SER 160 -7.919 27.905 47.806 1.00 45.53 C ATOM 103 CB SER 160 -6.861 28.081 46.706 1.00 45.53 C ATOM 104 OG SER 160 -5.553 27.881 47.223 1.00 45.53 O ATOM 105 C SER 160 -7.716 26.571 48.440 1.00 45.53 C ATOM 106 O SER 160 -8.081 25.542 47.867 1.00 45.53 O ATOM 107 N GLN 161 -7.108 26.550 49.642 1.00 58.59 N ATOM 108 CA GLN 161 -6.841 25.271 50.223 1.00 58.59 C ATOM 109 CB GLN 161 -5.353 24.995 50.448 1.00 58.59 C ATOM 110 CG GLN 161 -4.571 24.913 49.138 1.00 58.59 C ATOM 111 CD GLN 161 -3.276 24.198 49.451 1.00 58.59 C ATOM 112 OE1 GLN 161 -2.876 23.287 48.729 1.00 58.59 O ATOM 113 NE2 GLN 161 -2.596 24.625 50.548 1.00 58.59 N ATOM 114 C GLN 161 -7.539 25.137 51.530 1.00 58.59 C ATOM 115 O GLN 161 -7.606 26.070 52.329 1.00 58.59 O ATOM 116 N SER 162 -8.069 23.921 51.755 1.00 41.07 N ATOM 117 CA SER 162 -8.845 23.550 52.898 1.00 41.07 C ATOM 118 CB SER 162 -9.364 22.114 52.778 1.00 41.07 C ATOM 119 OG SER 162 -10.167 22.010 51.614 1.00 41.07 O ATOM 120 C SER 162 -8.033 23.605 54.152 1.00 41.07 C ATOM 121 O SER 162 -8.521 24.079 55.176 1.00 41.07 O ATOM 122 N SER 163 -6.782 23.108 54.113 1.00 25.56 N ATOM 123 CA SER 163 -5.987 23.034 55.307 1.00 25.56 C ATOM 124 CB SER 163 -4.623 22.362 55.089 1.00 25.56 C ATOM 125 OG SER 163 -3.833 23.133 54.197 1.00 25.56 O ATOM 126 C SER 163 -5.714 24.410 55.810 1.00 25.56 C ATOM 127 O SER 163 -5.691 24.642 57.019 1.00 25.56 O ATOM 128 N SER 164 -5.478 25.359 54.886 1.00 32.29 N ATOM 129 CA SER 164 -5.205 26.703 55.296 1.00 32.29 C ATOM 130 CB SER 164 -4.773 27.646 54.156 1.00 32.29 C ATOM 131 OG SER 164 -3.444 27.356 53.742 1.00 32.29 O ATOM 132 C SER 164 -6.430 27.271 55.940 1.00 32.29 C ATOM 133 O SER 164 -6.315 28.007 56.917 1.00 32.29 O ATOM 134 N LEU 165 -7.635 26.923 55.436 1.00107.13 N ATOM 135 CA LEU 165 -8.852 27.422 56.012 1.00107.13 C ATOM 136 CB LEU 165 -10.107 26.883 55.277 1.00107.13 C ATOM 137 CG LEU 165 -11.479 27.209 55.912 1.00107.13 C ATOM 138 CD1 LEU 165 -11.750 26.371 57.172 1.00107.13 C ATOM 139 CD2 LEU 165 -11.644 28.711 56.176 1.00107.13 C ATOM 140 C LEU 165 -8.887 26.973 57.442 1.00107.13 C ATOM 141 O LEU 165 -9.249 27.739 58.338 1.00107.13 O ATOM 142 N ASN 166 -8.490 25.713 57.699 1.00 34.85 N ATOM 143 CA ASN 166 -8.553 25.196 59.035 1.00 34.85 C ATOM 144 CB ASN 166 -8.038 23.748 59.157 1.00 34.85 C ATOM 145 CG ASN 166 -9.067 22.837 58.509 1.00 34.85 C ATOM 146 OD1 ASN 166 -10.252 23.165 58.460 1.00 34.85 O ATOM 147 ND2 ASN 166 -8.614 21.660 58.000 1.00 34.85 N ATOM 148 C ASN 166 -7.690 26.022 59.928 1.00 34.85 C ATOM 149 O ASN 166 -8.118 26.445 60.999 1.00 34.85 O ATOM 150 N ARG 167 -6.449 26.304 59.496 1.00 85.95 N ATOM 151 CA ARG 167 -5.546 27.022 60.346 1.00 85.95 C ATOM 152 CB ARG 167 -4.156 27.220 59.719 1.00 85.95 C ATOM 153 CG ARG 167 -3.336 25.928 59.688 1.00 85.95 C ATOM 154 CD ARG 167 -2.064 26.009 58.841 1.00 85.95 C ATOM 155 NE ARG 167 -1.088 26.897 59.532 1.00 85.95 N ATOM 156 CZ ARG 167 0.153 27.082 58.983 1.00 85.95 C ATOM 157 NH1 ARG 167 0.467 26.483 57.799 1.00 85.95 N ATOM 158 NH2 ARG 167 1.076 27.862 59.616 1.00 85.95 N ATOM 159 C ARG 167 -6.131 28.362 60.625 1.00 85.95 C ATOM 160 O ARG 167 -6.100 28.831 61.762 1.00 85.95 O ATOM 161 N HIS 168 -6.715 29.005 59.600 1.00 45.18 N ATOM 162 CA HIS 168 -7.267 30.304 59.826 1.00 45.18 C ATOM 163 ND1 HIS 168 -7.867 33.403 59.043 1.00 45.18 N ATOM 164 CG HIS 168 -8.570 32.229 58.884 1.00 45.18 C ATOM 165 CB HIS 168 -7.940 30.904 58.581 1.00 45.18 C ATOM 166 NE2 HIS 168 -10.011 33.896 59.372 1.00 45.18 N ATOM 167 CD2 HIS 168 -9.878 32.550 59.086 1.00 45.18 C ATOM 168 CE1 HIS 168 -8.776 34.366 59.334 1.00 45.18 C ATOM 169 C HIS 168 -8.325 30.196 60.872 1.00 45.18 C ATOM 170 O HIS 168 -8.337 30.976 61.821 1.00 45.18 O ATOM 171 N MET 169 -9.227 29.204 60.741 1.00 84.48 N ATOM 172 CA MET 169 -10.288 29.070 61.695 1.00 84.48 C ATOM 173 CB MET 169 -11.167 27.828 61.472 1.00 84.48 C ATOM 174 CG MET 169 -12.413 27.787 62.362 1.00 84.48 C ATOM 175 SD MET 169 -13.705 28.986 61.908 1.00 84.48 S ATOM 176 CE MET 169 -12.810 30.426 62.553 1.00 84.48 C ATOM 177 C MET 169 -9.703 28.971 63.100 1.00 84.48 C ATOM 178 O MET 169 -10.501 29.083 64.067 1.00 84.48 O ATOM 179 OXT MET 169 -8.460 28.794 63.228 1.00 84.48 O