EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:46 REMARK 6 MODELLER OBJECTIVE FUNCTION: 100.0265 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.826 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1488.75183 REMARK 6 GA341 score: 0.97016 REMARK 6 Normalized DOPE score: 0.31753 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 47.8% ATOM 1 N GLU 110 -15.377 22.125 47.797 1.00 67.12 N ATOM 2 CA GLU 110 -14.106 22.391 48.503 1.00 67.12 C ATOM 3 CB GLU 110 -13.696 23.864 48.352 1.00 67.12 C ATOM 4 CG GLU 110 -13.315 24.282 46.933 1.00 67.12 C ATOM 5 CD GLU 110 -13.039 25.778 46.967 1.00 67.12 C ATOM 6 OE1 GLU 110 -13.936 26.532 47.431 1.00 67.12 O ATOM 7 OE2 GLU 110 -11.928 26.186 46.537 1.00 67.12 O ATOM 8 C GLU 110 -14.269 22.154 49.960 1.00 67.12 C ATOM 9 O GLU 110 -15.291 21.650 50.424 1.00 67.12 O ATOM 10 N LYS 111 -13.215 22.503 50.715 1.00108.47 N ATOM 11 CA LYS 111 -13.247 22.420 52.141 1.00108.47 C ATOM 12 CB LYS 111 -12.012 21.690 52.697 1.00108.47 C ATOM 13 CG LYS 111 -12.043 20.193 52.372 1.00108.47 C ATOM 14 CD LYS 111 -10.685 19.494 52.420 1.00108.47 C ATOM 15 CE LYS 111 -9.984 19.482 51.061 1.00108.47 C ATOM 16 NZ LYS 111 -10.878 18.889 50.041 1.00108.47 N ATOM 17 C LYS 111 -13.239 23.847 52.583 1.00108.47 C ATOM 18 O LYS 111 -12.213 24.523 52.596 1.00108.47 O ATOM 19 N PRO 112 -14.409 24.309 52.908 1.00110.27 N ATOM 20 CA PRO 112 -14.580 25.690 53.264 1.00110.27 C ATOM 21 CD PRO 112 -15.596 23.768 52.267 1.00110.27 C ATOM 22 CB PRO 112 -16.081 25.962 53.182 1.00110.27 C ATOM 23 CG PRO 112 -16.572 24.948 52.136 1.00110.27 C ATOM 24 C PRO 112 -13.967 26.126 54.554 1.00110.27 C ATOM 25 O PRO 112 -13.728 27.323 54.705 1.00110.27 O ATOM 26 N PHE 113 -13.705 25.216 55.508 1.00 56.66 N ATOM 27 CA PHE 113 -13.204 25.740 56.744 1.00 56.66 C ATOM 28 CB PHE 113 -13.908 25.159 57.982 1.00 56.66 C ATOM 29 CG PHE 113 -15.336 25.573 57.849 1.00 56.66 C ATOM 30 CD1 PHE 113 -15.746 26.827 58.236 1.00 56.66 C ATOM 31 CD2 PHE 113 -16.264 24.703 57.326 1.00 56.66 C ATOM 32 CE1 PHE 113 -17.062 27.205 58.105 1.00 56.66 C ATOM 33 CE2 PHE 113 -17.581 25.074 57.192 1.00 56.66 C ATOM 34 CZ PHE 113 -17.984 26.329 57.583 1.00 56.66 C ATOM 35 C PHE 113 -11.740 25.468 56.831 1.00 56.66 C ATOM 36 O PHE 113 -11.293 24.328 56.713 1.00 56.66 O ATOM 37 N THR 114 -10.943 26.533 57.051 1.00102.65 N ATOM 38 CA THR 114 -9.527 26.333 57.115 1.00102.65 C ATOM 39 CB THR 114 -8.753 27.123 56.100 1.00102.65 C ATOM 40 OG1 THR 114 -7.381 26.755 56.141 1.00102.65 O ATOM 41 CG2 THR 114 -8.915 28.621 56.403 1.00102.65 C ATOM 42 C THR 114 -9.042 26.727 58.469 1.00102.65 C ATOM 43 O THR 114 -9.597 27.618 59.111 1.00102.65 O ATOM 44 N CYS 115 -7.997 26.023 58.945 1.00 42.96 N ATOM 45 CA CYS 115 -7.425 26.316 60.224 1.00 42.96 C ATOM 46 CB CYS 115 -6.590 25.162 60.803 1.00 42.96 C ATOM 47 SG CYS 115 -5.869 25.541 62.429 1.00 42.96 S ATOM 48 C CYS 115 -6.542 27.509 60.060 1.00 42.96 C ATOM 49 O CYS 115 -5.761 27.610 59.115 1.00 42.96 O ATOM 50 N THR 116 -6.644 28.458 61.002 1.00108.40 N ATOM 51 CA THR 116 -5.881 29.662 60.902 1.00108.40 C ATOM 52 CB THR 116 -6.251 30.658 61.966 1.00108.40 C ATOM 53 OG1 THR 116 -5.616 31.902 61.713 1.00108.40 O ATOM 54 CG2 THR 116 -5.850 30.120 63.352 1.00108.40 C ATOM 55 C THR 116 -4.414 29.361 61.002 1.00108.40 C ATOM 56 O THR 116 -3.614 29.907 60.242 1.00108.40 O ATOM 57 N GLN 117 -4.004 28.509 61.963 1.00 66.13 N ATOM 58 CA GLN 117 -2.592 28.309 62.126 1.00 66.13 C ATOM 59 CB GLN 117 -2.242 27.606 63.443 1.00 66.13 C ATOM 60 CG GLN 117 -0.740 27.388 63.637 1.00 66.13 C ATOM 61 CD GLN 117 -0.550 26.676 64.966 1.00 66.13 C ATOM 62 OE1 GLN 117 -1.387 26.774 65.863 1.00 66.13 O ATOM 63 NE2 GLN 117 0.576 25.926 65.098 1.00 66.13 N ATOM 64 C GLN 117 -1.958 27.498 61.033 1.00 66.13 C ATOM 65 O GLN 117 -1.016 27.960 60.391 1.00 66.13 O ATOM 66 N CYS 118 -2.446 26.257 60.818 1.00 59.88 N ATOM 67 CA CYS 118 -1.851 25.354 59.863 1.00 59.88 C ATOM 68 CB CYS 118 -2.252 23.888 60.100 1.00 59.88 C ATOM 69 SG CYS 118 -4.047 23.635 60.028 1.00 59.88 S ATOM 70 C CYS 118 -2.186 25.712 58.448 1.00 59.88 C ATOM 71 O CYS 118 -1.332 25.655 57.565 1.00 59.88 O ATOM 72 N GLY 119 -3.448 26.106 58.193 1.00 26.98 N ATOM 73 CA GLY 119 -3.854 26.400 56.850 1.00 26.98 C ATOM 74 C GLY 119 -4.503 25.177 56.266 1.00 26.98 C ATOM 75 O GLY 119 -4.879 25.165 55.095 1.00 26.98 O ATOM 76 N LYS 120 -4.649 24.103 57.068 1.00 95.23 N ATOM 77 CA LYS 120 -5.268 22.898 56.584 1.00 95.23 C ATOM 78 CB LYS 120 -5.030 21.689 57.512 1.00 95.23 C ATOM 79 CG LYS 120 -5.489 20.344 56.941 1.00 95.23 C ATOM 80 CD LYS 120 -4.837 19.146 57.637 1.00 95.23 C ATOM 81 CE LYS 120 -4.721 19.316 59.150 1.00 95.23 C ATOM 82 NZ LYS 120 -4.095 18.121 59.759 1.00 95.23 N ATOM 83 C LYS 120 -6.741 23.155 56.459 1.00 95.23 C ATOM 84 O LYS 120 -7.324 23.897 57.250 1.00 95.23 O ATOM 85 N SER 121 -7.387 22.547 55.443 1.00 94.78 N ATOM 86 CA SER 121 -8.779 22.816 55.214 1.00 94.78 C ATOM 87 CB SER 121 -9.057 23.351 53.796 1.00 94.78 C ATOM 88 OG SER 121 -8.562 22.443 52.823 1.00 94.78 O ATOM 89 C SER 121 -9.576 21.567 55.428 1.00 94.78 C ATOM 90 O SER 121 -9.084 20.457 55.229 1.00 94.78 O ATOM 91 N PHE 122 -10.846 21.731 55.863 1.00149.36 N ATOM 92 CA PHE 122 -11.681 20.602 56.170 1.00149.36 C ATOM 93 CB PHE 122 -11.938 20.444 57.681 1.00149.36 C ATOM 94 CG PHE 122 -10.660 20.085 58.361 1.00149.36 C ATOM 95 CD1 PHE 122 -9.778 21.068 58.747 1.00149.36 C ATOM 96 CD2 PHE 122 -10.340 18.768 58.604 1.00149.36 C ATOM 97 CE1 PHE 122 -8.600 20.746 59.378 1.00149.36 C ATOM 98 CE2 PHE 122 -9.163 18.439 59.235 1.00149.36 C ATOM 99 CZ PHE 122 -8.292 19.429 59.619 1.00149.36 C ATOM 100 C PHE 122 -13.028 20.792 55.541 1.00149.36 C ATOM 101 O PHE 122 -13.492 21.912 55.335 1.00149.36 O ATOM 102 N ILE 123 -13.677 19.665 55.190 1.00126.96 N ATOM 103 CA ILE 123 -14.997 19.671 54.635 1.00126.96 C ATOM 104 CB ILE 123 -15.410 18.337 54.086 1.00126.96 C ATOM 105 CG1 ILE 123 -16.751 18.470 53.341 1.00126.96 C ATOM 106 CG2 ILE 123 -15.408 17.313 55.233 1.00126.96 C ATOM 107 CD1 ILE 123 -16.676 19.341 52.085 1.00126.96 C ATOM 108 C ILE 123 -15.985 20.096 55.685 1.00126.96 C ATOM 109 O ILE 123 -16.922 20.841 55.393 1.00126.96 O ATOM 110 N ARG 124 -15.808 19.624 56.941 1.00115.84 N ATOM 111 CA ARG 124 -16.768 19.916 57.978 1.00115.84 C ATOM 112 CB ARG 124 -17.294 18.677 58.727 1.00115.84 C ATOM 113 CG ARG 124 -18.377 17.861 58.012 1.00115.84 C ATOM 114 CD ARG 124 -17.905 17.087 56.783 1.00115.84 C ATOM 115 NE ARG 124 -18.991 16.129 56.428 1.00115.84 N ATOM 116 CZ ARG 124 -19.475 16.057 55.154 1.00115.84 C ATOM 117 NH1 ARG 124 -18.993 16.894 54.189 1.00115.84 N ATOM 118 NH2 ARG 124 -20.442 15.144 54.848 1.00115.84 N ATOM 119 C ARG 124 -16.172 20.795 59.036 1.00115.84 C ATOM 120 O ARG 124 -14.999 20.681 59.389 1.00115.84 O ATOM 121 N LEU 125 -17.015 21.700 59.579 1.00 88.91 N ATOM 122 CA LEU 125 -16.632 22.621 60.613 1.00 88.91 C ATOM 123 CB LEU 125 -17.718 23.666 60.942 1.00 88.91 C ATOM 124 CG LEU 125 -19.037 23.099 61.511 1.00 88.91 C ATOM 125 CD1 LEU 125 -20.038 24.233 61.794 1.00 88.91 C ATOM 126 CD2 LEU 125 -19.629 22.009 60.603 1.00 88.91 C ATOM 127 C LEU 125 -16.317 21.869 61.863 1.00 88.91 C ATOM 128 O LEU 125 -15.385 22.218 62.586 1.00 88.91 O ATOM 129 N SER 126 -17.091 20.810 62.158 1.00 68.11 N ATOM 130 CA SER 126 -16.875 20.076 63.369 1.00 68.11 C ATOM 131 CB SER 126 -17.898 18.949 63.575 1.00 68.11 C ATOM 132 OG SER 126 -19.190 19.505 63.768 1.00 68.11 O ATOM 133 C SER 126 -15.506 19.471 63.338 1.00 68.11 C ATOM 134 O SER 126 -14.798 19.499 64.342 1.00 68.11 O ATOM 135 N LEU 127 -15.080 18.924 62.183 1.00 75.62 N ATOM 136 CA LEU 127 -13.790 18.298 62.110 1.00 75.62 C ATOM 137 CB LEU 127 -13.526 17.589 60.768 1.00 75.62 C ATOM 138 CG LEU 127 -14.359 16.302 60.592 1.00 75.62 C ATOM 139 CD1 LEU 127 -15.868 16.597 60.532 1.00 75.62 C ATOM 140 CD2 LEU 127 -13.860 15.469 59.401 1.00 75.62 C ATOM 141 C LEU 127 -12.731 19.331 62.342 1.00 75.62 C ATOM 142 O LEU 127 -11.733 19.067 63.011 1.00 75.62 O ATOM 143 N LEU 128 -12.930 20.547 61.806 1.00107.89 N ATOM 144 CA LEU 128 -11.976 21.607 61.962 1.00107.89 C ATOM 145 CB LEU 128 -12.418 22.875 61.199 1.00107.89 C ATOM 146 CG LEU 128 -11.485 24.097 61.333 1.00107.89 C ATOM 147 CD1 LEU 128 -11.618 24.773 62.707 1.00107.89 C ATOM 148 CD2 LEU 128 -10.033 23.732 60.991 1.00107.89 C ATOM 149 C LEU 128 -11.851 21.921 63.422 1.00107.89 C ATOM 150 O LEU 128 -10.755 22.172 63.922 1.00107.89 O ATOM 151 N ASN 129 -12.978 21.883 64.156 1.00 47.81 N ATOM 152 CA ASN 129 -12.975 22.245 65.546 1.00 47.81 C ATOM 153 CB ASN 129 -14.363 22.100 66.197 1.00 47.81 C ATOM 154 CG ASN 129 -15.291 23.133 65.571 1.00 47.81 C ATOM 155 OD1 ASN 129 -16.496 23.135 65.817 1.00 47.81 O ATOM 156 ND2 ASN 129 -14.715 24.042 64.740 1.00 47.81 N ATOM 157 C ASN 129 -12.036 21.356 66.299 1.00 47.81 C ATOM 158 O ASN 129 -11.220 21.837 67.083 1.00 47.81 O ATOM 159 N GLN 130 -12.114 20.030 66.084 1.00 78.10 N ATOM 160 CA GLN 130 -11.229 19.161 66.804 1.00 78.10 C ATOM 161 CB GLN 130 -11.478 17.651 66.599 1.00 78.10 C ATOM 162 CG GLN 130 -12.476 17.007 67.577 1.00 78.10 C ATOM 163 CD GLN 130 -13.887 17.521 67.339 1.00 78.10 C ATOM 164 OE1 GLN 130 -14.110 18.393 66.503 1.00 78.10 O ATOM 165 NE2 GLN 130 -14.874 16.974 68.096 1.00 78.10 N ATOM 166 C GLN 130 -9.835 19.461 66.379 1.00 78.10 C ATOM 167 O GLN 130 -8.913 19.460 67.194 1.00 78.10 O ATOM 168 N HIS 131 -9.644 19.743 65.081 1.00 43.94 N ATOM 169 CA HIS 131 -8.313 19.988 64.626 1.00 43.94 C ATOM 170 ND1 HIS 131 -5.904 19.558 62.446 1.00 43.94 N ATOM 171 CG HIS 131 -6.843 20.542 62.658 1.00 43.94 C ATOM 172 CB HIS 131 -8.244 20.291 63.122 1.00 43.94 C ATOM 173 NE2 HIS 131 -4.911 21.495 61.988 1.00 43.94 N ATOM 174 CD2 HIS 131 -6.219 21.719 62.374 1.00 43.94 C ATOM 175 CE1 HIS 131 -4.767 20.183 62.049 1.00 43.94 C ATOM 176 C HIS 131 -7.755 21.167 65.354 1.00 43.94 C ATOM 177 O HIS 131 -6.647 21.101 65.882 1.00 43.94 O ATOM 178 N MET 132 -8.515 22.277 65.426 1.00 47.35 N ATOM 179 CA MET 132 -8.005 23.432 66.105 1.00 47.35 C ATOM 180 CB MET 132 -8.780 24.728 65.804 1.00 47.35 C ATOM 181 CG MET 132 -8.629 25.237 64.367 1.00 47.35 C ATOM 182 SD MET 132 -9.591 26.737 64.000 1.00 47.35 S ATOM 183 CE MET 132 -8.558 27.850 64.996 1.00 47.35 C ATOM 184 C MET 132 -8.130 23.188 67.600 1.00 47.35 C ATOM 185 O MET 132 -7.672 24.075 68.368 1.00 47.35 O ATOM 186 OXT MET 132 -8.685 22.125 67.989 1.00 47.35 O