EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:08:54 REMARK 6 MODELLER OBJECTIVE FUNCTION: 98.9388 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.167 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1448.52954 REMARK 6 GA341 score: 0.93200 REMARK 6 Normalized DOPE score: -0.76633 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 54.2% ATOM 1 N GLU 93 -24.949 30.192 43.470 1.00 53.03 N ATOM 2 CA GLU 93 -23.992 30.914 44.340 1.00 53.03 C ATOM 3 CB GLU 93 -24.568 31.085 45.752 1.00 53.03 C ATOM 4 CG GLU 93 -24.842 29.753 46.451 1.00 53.03 C ATOM 5 CD GLU 93 -25.281 30.062 47.870 1.00 53.03 C ATOM 6 OE1 GLU 93 -25.711 31.221 48.108 1.00 53.03 O ATOM 7 OE2 GLU 93 -25.188 29.149 48.735 1.00 53.03 O ATOM 8 C GLU 93 -22.709 30.160 44.468 1.00 53.03 C ATOM 9 O GLU 93 -22.495 29.155 43.794 1.00 53.03 O ATOM 10 N LYS 94 -21.807 30.662 45.335 1.00 86.80 N ATOM 11 CA LYS 94 -20.547 30.017 45.560 1.00 86.80 C ATOM 12 CB LYS 94 -19.376 30.939 45.190 1.00 86.80 C ATOM 13 CG LYS 94 -19.388 31.350 43.715 1.00 86.80 C ATOM 14 CD LYS 94 -18.629 32.650 43.434 1.00 86.80 C ATOM 15 CE LYS 94 -19.381 33.887 43.941 1.00 86.80 C ATOM 16 NZ LYS 94 -18.600 35.121 43.694 1.00 86.80 N ATOM 17 C LYS 94 -20.472 29.780 47.035 1.00 86.80 C ATOM 18 O LYS 94 -20.006 30.631 47.792 1.00 86.80 O ATOM 19 N PRO 95 -20.931 28.640 47.464 1.00115.88 N ATOM 20 CA PRO 95 -20.959 28.333 48.867 1.00115.88 C ATOM 21 CD PRO 95 -21.931 27.890 46.723 1.00115.88 C ATOM 22 CB PRO 95 -21.936 27.161 49.026 1.00115.88 C ATOM 23 CG PRO 95 -22.180 26.650 47.594 1.00115.88 C ATOM 24 C PRO 95 -19.637 28.091 49.524 1.00115.88 C ATOM 25 O PRO 95 -19.561 28.253 50.741 1.00115.88 O ATOM 26 N PHE 96 -18.580 27.709 48.784 1.00 61.17 N ATOM 27 CA PHE 96 -17.385 27.370 49.503 1.00 61.17 C ATOM 28 CB PHE 96 -16.768 26.027 49.069 1.00 61.17 C ATOM 29 CG PHE 96 -17.717 24.967 49.521 1.00 61.17 C ATOM 30 CD1 PHE 96 -17.730 24.581 50.841 1.00 61.17 C ATOM 31 CD2 PHE 96 -18.587 24.360 48.642 1.00 61.17 C ATOM 32 CE1 PHE 96 -18.593 23.610 51.287 1.00 61.17 C ATOM 33 CE2 PHE 96 -19.456 23.385 49.079 1.00 61.17 C ATOM 34 CZ PHE 96 -19.463 23.017 50.404 1.00 61.17 C ATOM 35 C PHE 96 -16.364 28.448 49.351 1.00 61.17 C ATOM 36 O PHE 96 -16.005 28.839 48.241 1.00 61.17 O ATOM 37 N THR 97 -15.848 28.943 50.494 1.00103.53 N ATOM 38 CA THR 97 -14.902 30.017 50.443 1.00103.53 C ATOM 39 CB THR 97 -15.306 31.210 51.261 1.00103.53 C ATOM 40 OG1 THR 97 -15.348 30.867 52.638 1.00103.53 O ATOM 41 CG2 THR 97 -16.691 31.691 50.795 1.00103.53 C ATOM 42 C THR 97 -13.586 29.534 50.973 1.00103.53 C ATOM 43 O THR 97 -13.523 28.744 51.915 1.00103.53 O ATOM 44 N CYS 98 -12.496 30.000 50.328 1.00 42.46 N ATOM 45 CA CYS 98 -11.154 29.659 50.702 1.00 42.46 C ATOM 46 CB CYS 98 -10.133 29.961 49.591 1.00 42.46 C ATOM 47 SG CYS 98 -8.428 29.536 50.052 1.00 42.46 S ATOM 48 C CYS 98 -10.788 30.473 51.901 1.00 42.46 C ATOM 49 O CYS 98 -10.966 31.691 51.932 1.00 42.46 O ATOM 50 N THR 99 -10.245 29.806 52.932 1.00106.59 N ATOM 51 CA THR 99 -9.909 30.483 54.145 1.00106.59 C ATOM 52 CB THR 99 -9.453 29.538 55.217 1.00106.59 C ATOM 53 OG1 THR 99 -9.157 30.253 56.407 1.00106.59 O ATOM 54 CG2 THR 99 -8.208 28.786 54.718 1.00106.59 C ATOM 55 C THR 99 -8.806 31.462 53.896 1.00106.59 C ATOM 56 O THR 99 -8.818 32.563 54.445 1.00106.59 O ATOM 57 N GLN 100 -7.793 31.068 53.100 1.00107.88 N ATOM 58 CA GLN 100 -6.661 31.935 52.945 1.00107.88 C ATOM 59 CB GLN 100 -5.510 31.219 52.213 1.00107.88 C ATOM 60 CG GLN 100 -4.120 31.832 52.407 1.00107.88 C ATOM 61 CD GLN 100 -3.571 31.300 53.727 1.00107.88 C ATOM 62 OE1 GLN 100 -3.944 31.763 54.803 1.00107.88 O ATOM 63 NE2 GLN 100 -2.669 30.285 53.648 1.00107.88 N ATOM 64 C GLN 100 -6.983 33.186 52.163 1.00107.88 C ATOM 65 O GLN 100 -6.860 34.292 52.688 1.00107.88 O ATOM 66 N CYS 101 -7.393 33.027 50.880 1.00 66.65 N ATOM 67 CA CYS 101 -7.659 34.109 49.957 1.00 66.65 C ATOM 68 CB CYS 101 -7.520 33.694 48.480 1.00 66.65 C ATOM 69 SG CYS 101 -8.664 32.367 48.003 1.00 66.65 S ATOM 70 C CYS 101 -9.002 34.755 50.133 1.00 66.65 C ATOM 71 O CYS 101 -9.131 35.967 49.973 1.00 66.65 O ATOM 72 N GLY 102 -10.048 33.967 50.454 1.00 26.54 N ATOM 73 CA GLY 102 -11.369 34.518 50.569 1.00 26.54 C ATOM 74 C GLY 102 -12.109 34.325 49.274 1.00 26.54 C ATOM 75 O GLY 102 -13.239 34.787 49.131 1.00 26.54 O ATOM 76 N LYS 103 -11.494 33.633 48.292 1.00 86.59 N ATOM 77 CA LYS 103 -12.144 33.404 47.029 1.00 86.59 C ATOM 78 CB LYS 103 -11.186 32.924 45.925 1.00 86.59 C ATOM 79 CG LYS 103 -11.812 32.918 44.529 1.00 86.59 C ATOM 80 CD LYS 103 -10.793 32.744 43.401 1.00 86.59 C ATOM 81 CE LYS 103 -9.759 33.868 43.336 1.00 86.59 C ATOM 82 NZ LYS 103 -8.750 33.565 42.297 1.00 86.59 N ATOM 83 C LYS 103 -13.199 32.354 47.220 1.00 86.59 C ATOM 84 O LYS 103 -13.025 31.418 48.000 1.00 86.59 O ATOM 85 N SER 104 -14.336 32.486 46.500 1.00 52.69 N ATOM 86 CA SER 104 -15.422 31.558 46.672 1.00 52.69 C ATOM 87 CB SER 104 -16.767 32.255 46.931 1.00 52.69 C ATOM 88 OG SER 104 -16.698 33.022 48.123 1.00 52.69 O ATOM 89 C SER 104 -15.576 30.738 45.426 1.00 52.69 C ATOM 90 O SER 104 -15.265 31.197 44.328 1.00 52.69 O ATOM 91 N PHE 105 -16.061 29.485 45.576 1.00149.11 N ATOM 92 CA PHE 105 -16.197 28.608 44.446 1.00149.11 C ATOM 93 CB PHE 105 -15.128 27.503 44.426 1.00149.11 C ATOM 94 CG PHE 105 -13.798 28.144 44.194 1.00149.11 C ATOM 95 CD1 PHE 105 -13.025 28.566 45.254 1.00149.11 C ATOM 96 CD2 PHE 105 -13.317 28.323 42.916 1.00149.11 C ATOM 97 CE1 PHE 105 -11.800 29.157 45.041 1.00149.11 C ATOM 98 CE2 PHE 105 -12.093 28.912 42.699 1.00149.11 C ATOM 99 CZ PHE 105 -11.327 29.329 43.760 1.00149.11 C ATOM 100 C PHE 105 -17.536 27.937 44.493 1.00149.11 C ATOM 101 O PHE 105 -18.146 27.771 45.549 1.00149.11 O ATOM 102 N SER 106 -18.036 27.555 43.302 1.00 36.99 N ATOM 103 CA SER 106 -19.299 26.893 43.154 1.00 36.99 C ATOM 104 CB SER 106 -19.777 26.840 41.693 1.00 36.99 C ATOM 105 OG SER 106 -18.870 26.083 40.905 1.00 36.99 O ATOM 106 C SER 106 -19.202 25.475 43.632 1.00 36.99 C ATOM 107 O SER 106 -20.200 24.902 44.068 1.00 36.99 O ATOM 108 N ILE 107 -17.998 24.866 43.567 1.00 91.11 N ATOM 109 CA ILE 107 -17.897 23.464 43.872 1.00 91.11 C ATOM 110 CB ILE 107 -17.440 22.657 42.695 1.00 91.11 C ATOM 111 CG1 ILE 107 -18.358 22.905 41.485 1.00 91.11 C ATOM 112 CG2 ILE 107 -17.376 21.185 43.137 1.00 91.11 C ATOM 113 CD1 ILE 107 -19.820 22.556 41.742 1.00 91.11 C ATOM 114 C ILE 107 -16.878 23.243 44.947 1.00 91.11 C ATOM 115 O ILE 107 -15.823 23.876 44.963 1.00 91.11 O ATOM 116 N SER 108 -17.181 22.310 45.874 1.00 65.99 N ATOM 117 CA SER 108 -16.324 22.000 46.984 1.00 65.99 C ATOM 118 CB SER 108 -16.952 20.982 47.947 1.00 65.99 C ATOM 119 OG SER 108 -16.057 20.718 49.017 1.00 65.99 O ATOM 120 C SER 108 -15.039 21.416 46.494 1.00 65.99 C ATOM 121 O SER 108 -13.962 21.759 46.980 1.00 65.99 O ATOM 122 N SER 109 -15.116 20.511 45.506 1.00 20.89 N ATOM 123 CA SER 109 -13.930 19.866 45.025 1.00 20.89 C ATOM 124 CB SER 109 -14.227 18.796 43.960 1.00 20.89 C ATOM 125 OG SER 109 -14.827 19.394 42.819 1.00 20.89 O ATOM 126 C SER 109 -13.038 20.890 44.400 1.00 20.89 C ATOM 127 O SER 109 -11.815 20.805 44.502 1.00 20.89 O ATOM 128 N SER 110 -13.637 21.888 43.728 1.00 28.74 N ATOM 129 CA SER 110 -12.878 22.900 43.056 1.00 28.74 C ATOM 130 CB SER 110 -13.772 23.897 42.304 1.00 28.74 C ATOM 131 OG SER 110 -14.517 23.226 41.299 1.00 28.74 O ATOM 132 C SER 110 -12.109 23.687 44.065 1.00 28.74 C ATOM 133 O SER 110 -10.947 24.027 43.848 1.00 28.74 O ATOM 134 N LEU 111 -12.736 24.005 45.209 1.00107.13 N ATOM 135 CA LEU 111 -12.060 24.803 46.188 1.00107.13 C ATOM 136 CB LEU 111 -12.984 25.178 47.368 1.00107.13 C ATOM 137 CG LEU 111 -12.471 26.328 48.272 1.00107.13 C ATOM 138 CD1 LEU 111 -13.380 26.520 49.496 1.00107.13 C ATOM 139 CD2 LEU 111 -10.987 26.198 48.647 1.00107.13 C ATOM 140 C LEU 111 -10.892 23.998 46.688 1.00107.13 C ATOM 141 O LEU 111 -9.789 24.516 46.853 1.00107.13 O ATOM 142 N ASN 112 -11.099 22.680 46.874 1.00 72.77 N ATOM 143 CA ASN 112 -10.086 21.831 47.431 1.00 72.77 C ATOM 144 CB ASN 112 -10.541 20.368 47.552 1.00 72.77 C ATOM 145 CG ASN 112 -9.522 19.635 48.412 1.00 72.77 C ATOM 146 OD1 ASN 112 -8.684 18.894 47.903 1.00 72.77 O ATOM 147 ND2 ASN 112 -9.582 19.859 49.753 1.00 72.77 N ATOM 148 C ASN 112 -8.859 21.872 46.572 1.00 72.77 C ATOM 149 O ASN 112 -7.744 21.923 47.092 1.00 72.77 O ATOM 150 N GLN 113 -9.014 21.849 45.235 1.00 30.72 N ATOM 151 CA GLN 113 -7.836 21.904 44.416 1.00 30.72 C ATOM 152 CB GLN 113 -8.113 21.864 42.904 1.00 30.72 C ATOM 153 CG GLN 113 -6.830 21.944 42.068 1.00 30.72 C ATOM 154 CD GLN 113 -7.213 21.996 40.597 1.00 30.72 C ATOM 155 OE1 GLN 113 -8.389 22.108 40.256 1.00 30.72 O ATOM 156 NE2 GLN 113 -6.196 21.921 39.697 1.00 30.72 N ATOM 157 C GLN 113 -7.169 23.215 44.666 1.00 30.72 C ATOM 158 O GLN 113 -5.951 23.284 44.820 1.00 30.72 O ATOM 159 N HIS 114 -7.975 24.289 44.752 1.00 52.55 N ATOM 160 CA HIS 114 -7.454 25.613 44.909 1.00 52.55 C ATOM 161 ND1 HIS 114 -7.496 28.794 43.962 1.00 52.55 N ATOM 162 CG HIS 114 -8.018 28.091 45.027 1.00 52.55 C ATOM 163 CB HIS 114 -8.557 26.694 44.949 1.00 52.55 C ATOM 164 NE2 HIS 114 -7.353 30.126 45.738 1.00 52.55 N ATOM 165 CD2 HIS 114 -7.922 28.919 46.102 1.00 52.55 C ATOM 166 CE1 HIS 114 -7.113 30.004 44.444 1.00 52.55 C ATOM 167 C HIS 114 -6.676 25.667 46.185 1.00 52.55 C ATOM 168 O HIS 114 -5.647 26.335 46.259 1.00 52.55 O ATOM 169 N MET 115 -7.138 24.949 47.226 1.00 65.94 N ATOM 170 CA MET 115 -6.451 25.010 48.484 1.00 65.94 C ATOM 171 CB MET 115 -7.052 24.078 49.555 1.00 65.94 C ATOM 172 CG MET 115 -8.477 24.433 49.982 1.00 65.94 C ATOM 173 SD MET 115 -9.185 23.302 51.219 1.00 65.94 S ATOM 174 CE MET 115 -10.881 23.933 51.081 1.00 65.94 C ATOM 175 C MET 115 -5.040 24.548 48.281 1.00 65.94 C ATOM 176 O MET 115 -4.101 25.196 48.742 1.00 65.94 O ATOM 177 N ARG 116 -4.835 23.425 47.566 1.00 99.04 N ATOM 178 CA ARG 116 -3.481 22.981 47.416 1.00 99.04 C ATOM 179 CB ARG 116 -3.323 21.592 46.772 1.00 99.04 C ATOM 180 CG ARG 116 -1.897 21.048 46.896 1.00 99.04 C ATOM 181 CD ARG 116 -1.535 19.981 45.861 1.00 99.04 C ATOM 182 NE ARG 116 -0.130 19.554 46.120 1.00 99.04 N ATOM 183 CZ ARG 116 0.103 18.384 46.784 1.00 99.04 C ATOM 184 NH1 ARG 116 -0.947 17.594 47.153 1.00 99.04 N ATOM 185 NH2 ARG 116 1.381 17.996 47.067 1.00 99.04 N ATOM 186 C ARG 116 -2.800 23.973 46.481 1.00 99.04 C ATOM 187 O ARG 116 -1.922 24.738 46.965 1.00 99.04 O ATOM 188 OXT ARG 116 -3.148 23.983 45.270 1.00 99.04 O