EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:17:49 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.2451 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1119.35925 REMARK 6 GA341 score: 0.80944 REMARK 6 Normalized DOPE score: -0.14258 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 50.0% ATOM 1 N GLU 119 -13.205 39.977 29.787 1.00 91.75 N ATOM 2 CA GLU 119 -11.749 39.719 29.890 1.00 91.75 C ATOM 3 CB GLU 119 -11.015 40.959 30.405 1.00 91.75 C ATOM 4 CG GLU 119 -11.444 41.313 31.826 1.00 91.75 C ATOM 5 CD GLU 119 -10.285 42.011 32.514 1.00 91.75 C ATOM 6 OE1 GLU 119 -9.932 43.151 32.103 1.00 91.75 O ATOM 7 OE2 GLU 119 -9.739 41.402 33.467 1.00 91.75 O ATOM 8 C GLU 119 -11.442 38.646 30.883 1.00 91.75 C ATOM 9 O GLU 119 -10.277 38.301 31.070 1.00 91.75 O ATOM 10 N LYS 120 -12.470 38.111 31.572 1.00 86.68 N ATOM 11 CA LYS 120 -12.225 37.077 32.542 1.00 86.68 C ATOM 12 CB LYS 120 -13.073 37.214 33.826 1.00 86.68 C ATOM 13 CG LYS 120 -12.890 38.528 34.597 1.00 86.68 C ATOM 14 CD LYS 120 -13.561 39.737 33.932 1.00 86.68 C ATOM 15 CE LYS 120 -13.595 41.010 34.784 1.00 86.68 C ATOM 16 NZ LYS 120 -14.255 42.094 34.021 1.00 86.68 N ATOM 17 C LYS 120 -12.615 35.777 31.901 1.00 86.68 C ATOM 18 O LYS 120 -13.796 35.511 31.683 1.00 86.68 O ATOM 19 N PRO 121 -11.632 34.975 31.567 1.00116.47 N ATOM 20 CA PRO 121 -11.887 33.726 30.905 1.00116.47 C ATOM 21 CD PRO 121 -10.313 35.494 31.242 1.00116.47 C ATOM 22 CB PRO 121 -10.557 33.287 30.291 1.00116.47 C ATOM 23 CG PRO 121 -9.773 34.597 30.118 1.00116.47 C ATOM 24 C PRO 121 -12.503 32.660 31.751 1.00116.47 C ATOM 25 O PRO 121 -13.224 31.827 31.204 1.00116.47 O ATOM 26 N PHE 122 -12.246 32.666 33.073 1.00 57.27 N ATOM 27 CA PHE 122 -12.705 31.589 33.904 1.00 57.27 C ATOM 28 CB PHE 122 -11.736 31.257 35.054 1.00 57.27 C ATOM 29 CG PHE 122 -10.488 30.691 34.464 1.00 57.27 C ATOM 30 CD1 PHE 122 -10.417 29.358 34.118 1.00 57.27 C ATOM 31 CD2 PHE 122 -9.385 31.488 34.267 1.00 57.27 C ATOM 32 CE1 PHE 122 -9.267 28.835 33.571 1.00 57.27 C ATOM 33 CE2 PHE 122 -8.235 30.968 33.722 1.00 57.27 C ATOM 34 CZ PHE 122 -8.170 29.641 33.367 1.00 57.27 C ATOM 35 C PHE 122 -14.004 31.972 34.525 1.00 57.27 C ATOM 36 O PHE 122 -14.089 32.957 35.252 1.00 57.27 O ATOM 37 N THR 123 -15.058 31.172 34.263 1.00103.80 N ATOM 38 CA THR 123 -16.341 31.482 34.822 1.00103.80 C ATOM 39 CB THR 123 -17.428 31.614 33.803 1.00103.80 C ATOM 40 OG1 THR 123 -17.655 30.367 33.161 1.00103.80 O ATOM 41 CG2 THR 123 -16.997 32.671 32.775 1.00103.80 C ATOM 42 C THR 123 -16.735 30.359 35.717 1.00103.80 C ATOM 43 O THR 123 -16.530 29.189 35.396 1.00103.80 O ATOM 44 N CYS 124 -17.295 30.692 36.894 1.00 44.90 N ATOM 45 CA CYS 124 -17.704 29.670 37.810 1.00 44.90 C ATOM 46 CB CYS 124 -17.818 30.176 39.257 1.00 44.90 C ATOM 47 SG CYS 124 -18.251 28.866 40.443 1.00 44.90 S ATOM 48 C CYS 124 -19.029 29.148 37.359 1.00 44.90 C ATOM 49 O CYS 124 -19.939 29.903 37.026 1.00 44.90 O ATOM 50 N THR 125 -19.182 27.815 37.360 1.00108.27 N ATOM 51 CA THR 125 -20.398 27.242 36.872 1.00108.27 C ATOM 52 CB THR 125 -20.352 25.736 36.817 1.00108.27 C ATOM 53 OG1 THR 125 -21.498 25.233 36.145 1.00108.27 O ATOM 54 CG2 THR 125 -20.278 25.169 38.248 1.00108.27 C ATOM 55 C THR 125 -21.565 27.644 37.727 1.00108.27 C ATOM 56 O THR 125 -22.639 27.942 37.209 1.00108.27 O ATOM 57 N GLN 126 -21.400 27.627 39.061 1.00 76.44 N ATOM 58 CA GLN 126 -22.553 27.831 39.890 1.00 76.44 C ATOM 59 CB GLN 126 -22.253 27.477 41.350 1.00 76.44 C ATOM 60 CG GLN 126 -23.468 27.547 42.263 1.00 76.44 C ATOM 61 CD GLN 126 -23.055 26.827 43.530 1.00 76.44 C ATOM 62 OE1 GLN 126 -21.869 26.603 43.757 1.00 76.44 O ATOM 63 NE2 GLN 126 -24.050 26.442 44.372 1.00 76.44 N ATOM 64 C GLN 126 -23.085 29.231 39.856 1.00 76.44 C ATOM 65 O GLN 126 -24.241 29.450 39.482 1.00 76.44 O ATOM 66 N CYS 127 -22.252 30.209 40.264 1.00 65.69 N ATOM 67 CA CYS 127 -22.626 31.595 40.355 1.00 65.69 C ATOM 68 CB CYS 127 -21.732 32.379 41.327 1.00 65.69 C ATOM 69 SG CYS 127 -19.976 32.158 40.953 1.00 65.69 S ATOM 70 C CYS 127 -22.638 32.293 39.029 1.00 65.69 C ATOM 71 O CYS 127 -23.507 33.124 38.772 1.00 65.69 O ATOM 72 N GLY 128 -21.682 31.978 38.135 1.00 29.83 N ATOM 73 CA GLY 128 -21.630 32.687 36.889 1.00 29.83 C ATOM 74 C GLY 128 -20.620 33.790 37.017 1.00 29.83 C ATOM 75 O GLY 128 -20.429 34.583 36.097 1.00 29.83 O ATOM 76 N LYS 129 -19.954 33.881 38.180 1.00163.84 N ATOM 77 CA LYS 129 -18.932 34.868 38.362 1.00163.84 C ATOM 78 CB LYS 129 -18.262 34.796 39.743 1.00163.84 C ATOM 79 CG LYS 129 -18.993 35.526 40.857 1.00163.84 C ATOM 80 CD LYS 129 -18.965 37.040 40.675 1.00163.84 C ATOM 81 CE LYS 129 -17.564 37.645 40.807 1.00163.84 C ATOM 82 NZ LYS 129 -17.652 39.124 40.752 1.00163.84 N ATOM 83 C LYS 129 -17.838 34.561 37.394 1.00163.84 C ATOM 84 O LYS 129 -17.512 33.399 37.156 1.00163.84 O ATOM 85 N SER 130 -17.241 35.617 36.804 1.00 95.88 N ATOM 86 CA SER 130 -16.148 35.422 35.897 1.00 95.88 C ATOM 87 CB SER 130 -16.389 36.060 34.520 1.00 95.88 C ATOM 88 OG SER 130 -16.734 37.425 34.693 1.00 95.88 O ATOM 89 C SER 130 -14.948 36.050 36.538 1.00 95.88 C ATOM 90 O SER 130 -15.084 37.038 37.258 1.00 95.88 O ATOM 91 N PHE 131 -13.747 35.474 36.307 1.00 75.14 N ATOM 92 CA PHE 131 -12.558 35.954 36.956 1.00 75.14 C ATOM 93 CB PHE 131 -12.105 35.066 38.133 1.00 75.14 C ATOM 94 CG PHE 131 -13.115 35.200 39.218 1.00 75.14 C ATOM 95 CD1 PHE 131 -13.094 36.286 40.065 1.00 75.14 C ATOM 96 CD2 PHE 131 -14.081 34.235 39.390 1.00 75.14 C ATOM 97 CE1 PHE 131 -14.030 36.404 41.066 1.00 75.14 C ATOM 98 CE2 PHE 131 -15.015 34.351 40.387 1.00 75.14 C ATOM 99 CZ PHE 131 -14.995 35.438 41.226 1.00 75.14 C ATOM 100 C PHE 131 -11.427 35.980 35.985 1.00 75.14 C ATOM 101 O PHE 131 -11.358 35.185 35.045 1.00 75.14 O ATOM 102 N ARG 132 -10.511 36.936 36.218 1.00 88.91 N ATOM 103 CA ARG 132 -9.343 37.183 35.433 1.00 88.91 C ATOM 104 CB ARG 132 -8.636 38.475 35.884 1.00 88.91 C ATOM 105 CG ARG 132 -9.534 39.712 35.763 1.00 88.91 C ATOM 106 CD ARG 132 -8.850 41.033 36.113 1.00 88.91 C ATOM 107 NE ARG 132 -9.885 42.098 36.031 1.00 88.91 N ATOM 108 CZ ARG 132 -10.633 42.404 37.127 1.00 88.91 C ATOM 109 NH1 ARG 132 -10.421 41.748 38.308 1.00 88.91 N ATOM 110 NH2 ARG 132 -11.578 43.384 37.037 1.00 88.91 N ATOM 111 C ARG 132 -8.389 36.029 35.569 1.00 88.91 C ATOM 112 O ARG 132 -7.743 35.652 34.594 1.00 88.91 O ATOM 113 N LYS 133 -8.282 35.433 36.780 1.00 84.03 N ATOM 114 CA LYS 133 -7.328 34.376 37.023 1.00 84.03 C ATOM 115 CB LYS 133 -6.324 34.722 38.136 1.00 84.03 C ATOM 116 CG LYS 133 -5.421 35.925 37.867 1.00 84.03 C ATOM 117 CD LYS 133 -4.810 36.469 39.160 1.00 84.03 C ATOM 118 CE LYS 133 -5.847 36.597 40.286 1.00 84.03 C ATOM 119 NZ LYS 133 -5.314 37.401 41.408 1.00 84.03 N ATOM 120 C LYS 133 -8.034 33.152 37.526 1.00 84.03 C ATOM 121 O LYS 133 -9.047 33.233 38.216 1.00 84.03 O ATOM 122 N SER 134 -7.487 31.966 37.185 1.00 62.79 N ATOM 123 CA SER 134 -8.060 30.724 37.619 1.00 62.79 C ATOM 124 CB SER 134 -7.410 29.490 36.971 1.00 62.79 C ATOM 125 OG SER 134 -8.169 28.322 37.256 1.00 62.79 O ATOM 126 C SER 134 -7.867 30.602 39.101 1.00 62.79 C ATOM 127 O SER 134 -8.688 30.003 39.793 1.00 62.79 O ATOM 128 N SER 135 -6.771 31.180 39.634 1.00 65.75 N ATOM 129 CA SER 135 -6.492 31.043 41.041 1.00 65.75 C ATOM 130 CB SER 135 -5.178 31.726 41.488 1.00 65.75 C ATOM 131 OG SER 135 -4.940 31.494 42.871 1.00 65.75 O ATOM 132 C SER 135 -7.596 31.674 41.831 1.00 65.75 C ATOM 133 O SER 135 -8.038 31.124 42.839 1.00 65.75 O ATOM 134 N SER 136 -8.063 32.854 41.394 1.00 66.40 N ATOM 135 CA SER 136 -9.091 33.556 42.105 1.00 66.40 C ATOM 136 CB SER 136 -9.348 34.969 41.551 1.00 66.40 C ATOM 137 OG SER 136 -10.384 35.612 42.284 1.00 66.40 O ATOM 138 C SER 136 -10.372 32.798 42.020 1.00 66.40 C ATOM 139 O SER 136 -11.142 32.788 42.978 1.00 66.40 O ATOM 140 N LEU 137 -10.632 32.137 40.877 1.00 97.96 N ATOM 141 CA LEU 137 -11.882 31.457 40.738 1.00 97.96 C ATOM 142 CB LEU 137 -12.073 30.843 39.330 1.00 97.96 C ATOM 143 CG LEU 137 -13.503 30.355 38.990 1.00 97.96 C ATOM 144 CD1 LEU 137 -13.549 29.755 37.575 1.00 97.96 C ATOM 145 CD2 LEU 137 -14.066 29.379 40.031 1.00 97.96 C ATOM 146 C LEU 137 -11.912 30.369 41.771 1.00 97.96 C ATOM 147 O LEU 137 -12.925 30.178 42.442 1.00 97.96 O ATOM 148 N THR 138 -10.786 29.646 41.949 1.00104.62 N ATOM 149 CA THR 138 -10.767 28.559 42.890 1.00104.62 C ATOM 150 CB THR 138 -9.489 27.761 42.907 1.00104.62 C ATOM 151 OG1 THR 138 -8.409 28.564 43.357 1.00104.62 O ATOM 152 CG2 THR 138 -9.206 27.217 41.495 1.00104.62 C ATOM 153 C THR 138 -10.961 29.128 44.257 1.00104.62 C ATOM 154 O THR 138 -11.658 28.547 45.087 1.00104.62 O ATOM 155 N LEU 139 -10.361 30.308 44.509 1.00 50.84 N ATOM 156 CA LEU 139 -10.417 30.940 45.796 1.00 50.84 C ATOM 157 CB LEU 139 -9.755 32.337 45.766 1.00 50.84 C ATOM 158 CG LEU 139 -9.416 32.961 47.139 1.00 50.84 C ATOM 159 CD1 LEU 139 -9.035 34.446 46.994 1.00 50.84 C ATOM 160 CD2 LEU 139 -10.500 32.690 48.193 1.00 50.84 C ATOM 161 C LEU 139 -11.876 31.138 46.052 1.00 50.84 C ATOM 162 O LEU 139 -12.362 30.931 47.162 1.00 50.84 O ATOM 163 N HIS 140 -12.615 31.535 45.000 1.00 41.70 N ATOM 164 CA HIS 140 -14.028 31.734 45.112 1.00 41.70 C ATOM 165 ND1 HIS 140 -16.362 33.998 44.200 1.00 41.70 N ATOM 166 CG HIS 140 -16.061 32.684 43.909 1.00 41.70 C ATOM 167 CB HIS 140 -14.662 32.169 43.776 1.00 41.70 C ATOM 168 NE2 HIS 140 -18.298 32.920 44.010 1.00 41.70 N ATOM 169 CD2 HIS 140 -17.249 32.041 43.795 1.00 41.70 C ATOM 170 CE1 HIS 140 -17.716 34.079 44.247 1.00 41.70 C ATOM 171 C HIS 140 -14.625 30.381 45.522 1.00 41.70 C ATOM 172 O HIS 140 -14.510 29.415 44.720 1.00 41.70 O ATOM 173 OXT HIS 140 -15.192 30.289 46.640 1.00 41.70 O