EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:58:27 REMARK 6 MODELLER OBJECTIVE FUNCTION: 99.1092 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.167 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1495.46753 REMARK 6 GA341 score: 0.75918 REMARK 6 Normalized DOPE score: -0.82877 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 54.2% ATOM 1 N GLU 126 -17.013 35.341 38.982 1.00 34.17 N ATOM 2 CA GLU 126 -17.613 35.907 40.210 1.00 34.17 C ATOM 3 CB GLU 126 -19.142 35.733 40.198 1.00 34.17 C ATOM 4 CG GLU 126 -19.833 36.396 41.393 1.00 34.17 C ATOM 5 CD GLU 126 -21.300 35.986 41.382 1.00 34.17 C ATOM 6 OE1 GLU 126 -21.883 35.897 40.270 1.00 34.17 O ATOM 7 OE2 GLU 126 -21.853 35.746 42.489 1.00 34.17 O ATOM 8 C GLU 126 -17.094 35.219 41.427 1.00 34.17 C ATOM 9 O GLU 126 -15.946 35.413 41.827 1.00 34.17 O ATOM 10 N LYS 127 -17.953 34.397 42.058 1.00 82.39 N ATOM 11 CA LYS 127 -17.560 33.723 43.258 1.00 82.39 C ATOM 12 CB LYS 127 -18.415 34.174 44.452 1.00 82.39 C ATOM 13 CG LYS 127 -18.427 35.699 44.593 1.00 82.39 C ATOM 14 CD LYS 127 -19.544 36.249 45.483 1.00 82.39 C ATOM 15 CE LYS 127 -19.721 37.765 45.366 1.00 82.39 C ATOM 16 NZ LYS 127 -18.439 38.449 45.651 1.00 82.39 N ATOM 17 C LYS 127 -17.793 32.260 43.035 1.00 82.39 C ATOM 18 O LYS 127 -18.922 31.776 43.041 1.00 82.39 O ATOM 19 N PRO 128 -16.715 31.562 42.824 1.00113.81 N ATOM 20 CA PRO 128 -16.777 30.149 42.549 1.00113.81 C ATOM 21 CD PRO 128 -15.590 32.192 42.150 1.00113.81 C ATOM 22 CB PRO 128 -15.425 29.784 41.940 1.00113.81 C ATOM 23 CG PRO 128 -14.953 31.094 41.288 1.00113.81 C ATOM 24 C PRO 128 -17.167 29.242 43.679 1.00113.81 C ATOM 25 O PRO 128 -17.589 28.121 43.400 1.00113.81 O ATOM 26 N TYR 129 -17.045 29.662 44.951 1.00 62.65 N ATOM 27 CA TYR 129 -17.333 28.708 45.985 1.00 62.65 C ATOM 28 CB TYR 129 -16.266 28.642 47.091 1.00 62.65 C ATOM 29 CG TYR 129 -15.103 27.891 46.543 1.00 62.65 C ATOM 30 CD1 TYR 129 -15.136 26.516 46.527 1.00 62.65 C ATOM 31 CD2 TYR 129 -13.991 28.537 46.055 1.00 62.65 C ATOM 32 CE1 TYR 129 -14.079 25.791 46.032 1.00 62.65 C ATOM 33 CE2 TYR 129 -12.928 27.816 45.557 1.00 62.65 C ATOM 34 CZ TYR 129 -12.972 26.440 45.546 1.00 62.65 C ATOM 35 OH TYR 129 -11.889 25.692 45.037 1.00 62.65 O ATOM 36 C TYR 129 -18.633 29.033 46.640 1.00 62.65 C ATOM 37 O TYR 129 -18.804 30.103 47.220 1.00 62.65 O ATOM 38 N LYS 130 -19.587 28.081 46.572 1.00 91.86 N ATOM 39 CA LYS 130 -20.872 28.311 47.162 1.00 91.86 C ATOM 40 CB LYS 130 -22.059 28.044 46.217 1.00 91.86 C ATOM 41 CG LYS 130 -22.225 26.579 45.808 1.00 91.86 C ATOM 42 CD LYS 130 -23.578 26.282 45.153 1.00 91.86 C ATOM 43 CE LYS 130 -23.734 24.830 44.696 1.00 91.86 C ATOM 44 NZ LYS 130 -22.802 24.551 43.580 1.00 91.86 N ATOM 45 C LYS 130 -21.037 27.418 48.352 1.00 91.86 C ATOM 46 O LYS 130 -20.586 26.274 48.367 1.00 91.86 O ATOM 47 N CYS 131 -21.681 27.963 49.405 1.00 44.50 N ATOM 48 CA CYS 131 -21.937 27.241 50.620 1.00 44.50 C ATOM 49 CB CYS 131 -22.241 28.168 51.811 1.00 44.50 C ATOM 50 SG CYS 131 -22.570 27.273 53.359 1.00 44.50 S ATOM 51 C CYS 131 -23.132 26.365 50.403 1.00 44.50 C ATOM 52 O CYS 131 -24.150 26.789 49.858 1.00 44.50 O ATOM 53 N SER 132 -23.037 25.100 50.847 1.00 36.91 N ATOM 54 CA SER 132 -24.110 24.174 50.638 1.00 36.91 C ATOM 55 CB SER 132 -23.746 22.741 51.056 1.00 36.91 C ATOM 56 OG SER 132 -23.523 22.678 52.457 1.00 36.91 O ATOM 57 C SER 132 -25.321 24.585 51.424 1.00 36.91 C ATOM 58 O SER 132 -26.447 24.447 50.948 1.00 36.91 O ATOM 59 N HIS 133 -25.130 25.060 52.672 1.00124.02 N ATOM 60 CA HIS 133 -26.276 25.373 53.483 1.00124.02 C ATOM 61 ND1 HIS 133 -24.163 23.960 55.683 1.00124.02 N ATOM 62 CG HIS 133 -25.446 24.463 55.704 1.00124.02 C ATOM 63 CB HIS 133 -25.895 25.676 54.943 1.00124.02 C ATOM 64 NE2 HIS 133 -25.343 22.636 57.024 1.00124.02 N ATOM 65 CD2 HIS 133 -26.153 23.641 56.527 1.00124.02 C ATOM 66 CE1 HIS 133 -24.158 22.869 56.490 1.00124.02 C ATOM 67 C HIS 133 -27.069 26.553 52.987 1.00124.02 C ATOM 68 O HIS 133 -28.230 26.409 52.602 1.00124.02 O ATOM 69 N CYS 134 -26.449 27.754 53.019 1.00 67.76 N ATOM 70 CA CYS 134 -27.047 29.022 52.673 1.00 67.76 C ATOM 71 CB CYS 134 -26.307 30.216 53.301 1.00 67.76 C ATOM 72 SG CYS 134 -24.567 30.316 52.792 1.00 67.76 S ATOM 73 C CYS 134 -27.136 29.251 51.193 1.00 67.76 C ATOM 74 O CYS 134 -28.059 29.911 50.717 1.00 67.76 O ATOM 75 N ASP 135 -26.184 28.687 50.427 1.00 72.91 N ATOM 76 CA ASP 135 -26.070 28.903 49.012 1.00 72.91 C ATOM 77 CB ASP 135 -27.416 28.781 48.283 1.00 72.91 C ATOM 78 CG ASP 135 -27.844 27.325 48.394 1.00 72.91 C ATOM 79 OD1 ASP 135 -27.174 26.576 49.155 1.00 72.91 O ATOM 80 OD2 ASP 135 -28.846 26.944 47.731 1.00 72.91 O ATOM 81 C ASP 135 -25.475 30.255 48.723 1.00 72.91 C ATOM 82 O ASP 135 -25.586 30.760 47.605 1.00 72.91 O ATOM 83 N LYS 136 -24.785 30.866 49.708 1.00 63.15 N ATOM 84 CA LYS 136 -24.102 32.105 49.456 1.00 63.15 C ATOM 85 CB LYS 136 -23.723 32.882 50.727 1.00 63.15 C ATOM 86 CG LYS 136 -23.000 34.193 50.409 1.00 63.15 C ATOM 87 CD LYS 136 -22.814 35.128 51.606 1.00 63.15 C ATOM 88 CE LYS 136 -22.222 36.484 51.208 1.00 63.15 C ATOM 89 NZ LYS 136 -22.061 37.343 52.401 1.00 63.15 N ATOM 90 C LYS 136 -22.819 31.768 48.757 1.00 63.15 C ATOM 91 O LYS 136 -22.225 30.720 49.012 1.00 63.15 O ATOM 92 N ARG 137 -22.343 32.652 47.853 1.00103.03 N ATOM 93 CA ARG 137 -21.128 32.347 47.145 1.00103.03 C ATOM 94 CB ARG 137 -21.265 32.364 45.612 1.00103.03 C ATOM 95 CG ARG 137 -21.874 31.069 45.070 1.00103.03 C ATOM 96 CD ARG 137 -22.011 31.022 43.548 1.00103.03 C ATOM 97 NE ARG 137 -22.330 29.614 43.179 1.00103.03 N ATOM 98 CZ ARG 137 -23.371 29.338 42.344 1.00103.03 C ATOM 99 NH1 ARG 137 -24.169 30.351 41.890 1.00103.03 N ATOM 100 NH2 ARG 137 -23.623 28.052 41.963 1.00103.03 N ATOM 101 C ARG 137 -20.039 33.296 47.546 1.00103.03 C ATOM 102 O ARG 137 -20.292 34.435 47.937 1.00103.03 O ATOM 103 N PHE 138 -18.777 32.816 47.461 1.00144.91 N ATOM 104 CA PHE 138 -17.646 33.583 47.906 1.00144.91 C ATOM 105 CB PHE 138 -16.987 32.978 49.157 1.00144.91 C ATOM 106 CG PHE 138 -17.953 33.076 50.289 1.00144.91 C ATOM 107 CD1 PHE 138 -18.922 32.113 50.476 1.00144.91 C ATOM 108 CD2 PHE 138 -17.895 34.139 51.160 1.00144.91 C ATOM 109 CE1 PHE 138 -19.808 32.206 51.524 1.00144.91 C ATOM 110 CE2 PHE 138 -18.777 34.237 52.210 1.00144.91 C ATOM 111 CZ PHE 138 -19.738 33.272 52.390 1.00144.91 C ATOM 112 C PHE 138 -16.589 33.594 46.849 1.00144.91 C ATOM 113 O PHE 138 -16.468 32.671 46.045 1.00144.91 O ATOM 114 N SER 139 -15.800 34.686 46.827 1.00 34.98 N ATOM 115 CA SER 139 -14.723 34.848 45.897 1.00 34.98 C ATOM 116 CB SER 139 -14.156 36.278 45.879 1.00 34.98 C ATOM 117 OG SER 139 -13.530 36.572 47.119 1.00 34.98 O ATOM 118 C SER 139 -13.601 33.927 46.266 1.00 34.98 C ATOM 119 O SER 139 -12.876 33.460 45.389 1.00 34.98 O ATOM 120 N CYS 140 -13.417 33.640 47.574 1.00 35.10 N ATOM 121 CA CYS 140 -12.286 32.838 47.951 1.00 35.10 C ATOM 122 CB CYS 140 -11.216 33.636 48.711 1.00 35.10 C ATOM 123 SG CYS 140 -10.446 34.899 47.654 1.00 35.10 S ATOM 124 C CYS 140 -12.707 31.695 48.824 1.00 35.10 C ATOM 125 O CYS 140 -13.676 31.779 49.577 1.00 35.10 O ATOM 126 N SER 141 -11.950 30.582 48.731 1.00 71.55 N ATOM 127 CA SER 141 -12.229 29.381 49.465 1.00 71.55 C ATOM 128 CB SER 141 -11.285 28.224 49.105 1.00 71.55 C ATOM 129 OG SER 141 -9.960 28.530 49.515 1.00 71.55 O ATOM 130 C SER 141 -12.068 29.628 50.934 1.00 71.55 C ATOM 131 O SER 141 -12.852 29.129 51.739 1.00 71.55 O ATOM 132 N GLY 142 -11.049 30.417 51.324 1.00 17.16 N ATOM 133 CA GLY 142 -10.786 30.635 52.718 1.00 17.16 C ATOM 134 C GLY 142 -11.974 31.294 53.340 1.00 17.16 C ATOM 135 O GLY 142 -12.348 30.977 54.469 1.00 17.16 O ATOM 136 N ASN 143 -12.590 32.248 52.620 1.00 30.13 N ATOM 137 CA ASN 143 -13.722 32.963 53.133 1.00 30.13 C ATOM 138 CB ASN 143 -14.202 34.080 52.188 1.00 30.13 C ATOM 139 CG ASN 143 -13.169 35.195 52.218 1.00 30.13 C ATOM 140 OD1 ASN 143 -12.702 35.593 53.283 1.00 30.13 O ATOM 141 ND2 ASN 143 -12.801 35.716 51.016 1.00 30.13 N ATOM 142 C ASN 143 -14.868 32.013 53.314 1.00 30.13 C ATOM 143 O ASN 143 -15.606 32.099 54.293 1.00 30.13 O ATOM 144 N LEU 144 -15.047 31.082 52.358 1.00104.13 N ATOM 145 CA LEU 144 -16.134 30.146 52.412 1.00104.13 C ATOM 146 CB LEU 144 -16.161 29.232 51.166 1.00104.13 C ATOM 147 CG LEU 144 -17.296 28.186 51.114 1.00104.13 C ATOM 148 CD1 LEU 144 -17.073 27.032 52.106 1.00104.13 C ATOM 149 CD2 LEU 144 -18.671 28.843 51.284 1.00104.13 C ATOM 150 C LEU 144 -15.980 29.299 53.638 1.00104.13 C ATOM 151 O LEU 144 -16.945 29.046 54.358 1.00104.13 O ATOM 152 N ASN 145 -14.744 28.857 53.931 1.00 28.86 N ATOM 153 CA ASN 145 -14.523 27.997 55.061 1.00 28.86 C ATOM 154 CB ASN 145 -13.059 27.554 55.218 1.00 28.86 C ATOM 155 CG ASN 145 -12.754 26.522 54.141 1.00 28.86 C ATOM 156 OD1 ASN 145 -13.608 25.716 53.773 1.00 28.86 O ATOM 157 ND2 ASN 145 -11.495 26.541 53.627 1.00 28.86 N ATOM 158 C ASN 145 -14.902 28.720 56.313 1.00 28.86 C ATOM 159 O ASN 145 -15.523 28.146 57.207 1.00 28.86 O ATOM 160 N GLU 146 -14.545 30.011 56.406 1.00 68.85 N ATOM 161 CA GLU 146 -14.844 30.767 57.587 1.00 68.85 C ATOM 162 CB GLU 146 -14.390 32.233 57.465 1.00 68.85 C ATOM 163 CG GLU 146 -14.679 33.092 58.697 1.00 68.85 C ATOM 164 CD GLU 146 -14.423 34.543 58.309 1.00 68.85 C ATOM 165 OE1 GLU 146 -15.058 35.010 57.326 1.00 68.85 O ATOM 166 OE2 GLU 146 -13.592 35.203 58.989 1.00 68.85 O ATOM 167 C GLU 146 -16.327 30.782 57.750 1.00 68.85 C ATOM 168 O GLU 146 -16.844 30.570 58.846 1.00 68.85 O ATOM 169 N HIS 147 -17.052 31.015 56.643 1.00 47.29 N ATOM 170 CA HIS 147 -18.480 31.117 56.690 1.00 47.29 C ATOM 171 ND1 HIS 147 -21.252 32.721 55.834 1.00 47.29 N ATOM 172 CG HIS 147 -20.575 31.629 55.339 1.00 47.29 C ATOM 173 CB HIS 147 -19.082 31.489 55.322 1.00 47.29 C ATOM 174 NE2 HIS 147 -22.793 31.294 55.107 1.00 47.29 N ATOM 175 CD2 HIS 147 -21.532 30.767 54.899 1.00 47.29 C ATOM 176 CE1 HIS 147 -22.575 32.468 55.670 1.00 47.29 C ATOM 177 C HIS 147 -19.087 29.819 57.122 1.00 47.29 C ATOM 178 O HIS 147 -19.954 29.792 57.991 1.00 47.29 O ATOM 179 N MET 148 -18.636 28.700 56.529 1.00101.74 N ATOM 180 CA MET 148 -19.242 27.431 56.812 1.00101.74 C ATOM 181 CB MET 148 -18.681 26.308 55.926 1.00101.74 C ATOM 182 CG MET 148 -19.522 25.032 55.943 1.00101.74 C ATOM 183 SD MET 148 -18.858 23.703 54.896 1.00101.74 S ATOM 184 CE MET 148 -18.944 24.660 53.355 1.00101.74 C ATOM 185 C MET 148 -19.035 27.034 58.240 1.00101.74 C ATOM 186 O MET 148 -19.969 26.591 58.906 1.00101.74 O ATOM 187 N LEU 149 -17.812 27.198 58.769 1.00 25.60 N ATOM 188 CA LEU 149 -17.586 26.744 60.109 1.00 25.60 C ATOM 189 CB LEU 149 -16.103 26.756 60.503 1.00 25.60 C ATOM 190 CG LEU 149 -15.261 25.813 59.624 1.00 25.60 C ATOM 191 CD1 LEU 149 -13.790 25.790 60.063 1.00 25.60 C ATOM 192 CD2 LEU 149 -15.893 24.413 59.551 1.00 25.60 C ATOM 193 C LEU 149 -18.348 27.644 61.071 1.00 25.60 C ATOM 194 O LEU 149 -19.364 27.167 61.642 1.00 25.60 O ATOM 195 OXT LEU 149 -17.922 28.815 61.254 1.00 25.60 O