EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:05:36 REMARK 6 MODELLER OBJECTIVE FUNCTION: 85.9708 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 45.455 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1235.17212 REMARK 6 GA341 score: 0.86978 REMARK 6 Normalized DOPE score: -1.15139 REMARK 6 TEMPLATE: 1llmC01 101:C - 122:C MODELS 1: - 22: AT 45.5% ATOM 1 N GLU 147 -15.948 45.008 50.011 1.00 62.26 N ATOM 2 CA GLU 147 -15.091 43.806 50.089 1.00 62.26 C ATOM 3 CB GLU 147 -14.176 43.723 48.855 1.00 62.26 C ATOM 4 CG GLU 147 -13.264 42.493 48.846 1.00 62.26 C ATOM 5 CD GLU 147 -14.138 41.268 48.622 1.00 62.26 C ATOM 6 OE1 GLU 147 -15.382 41.449 48.539 1.00 62.26 O ATOM 7 OE2 GLU 147 -13.584 40.140 48.535 1.00 62.26 O ATOM 8 C GLU 147 -14.246 43.834 51.321 1.00 62.26 C ATOM 9 O GLU 147 -13.563 42.858 51.628 1.00 62.26 O ATOM 10 N ARG 148 -14.265 44.963 52.066 1.00107.78 N ATOM 11 CA ARG 148 -13.508 45.018 53.288 1.00107.78 C ATOM 12 CB ARG 148 -12.558 46.230 53.367 1.00107.78 C ATOM 13 CG ARG 148 -11.562 46.335 52.211 1.00107.78 C ATOM 14 CD ARG 148 -12.145 46.979 50.950 1.00107.78 C ATOM 15 NE ARG 148 -11.643 48.385 50.898 1.00107.78 N ATOM 16 CZ ARG 148 -12.315 49.398 51.525 1.00107.78 C ATOM 17 NH1 ARG 148 -13.487 49.152 52.181 1.00107.78 N ATOM 18 NH2 ARG 148 -11.822 50.670 51.491 1.00107.78 N ATOM 19 C ARG 148 -14.483 45.189 54.421 1.00107.78 C ATOM 20 O ARG 148 -14.724 46.306 54.872 1.00107.78 O ATOM 21 N PRO 149 -15.047 44.113 54.898 1.00168.04 N ATOM 22 CA PRO 149 -16.005 44.217 55.967 1.00168.04 C ATOM 23 CD PRO 149 -15.374 43.016 54.003 1.00168.04 C ATOM 24 CB PRO 149 -16.835 42.939 55.925 1.00168.04 C ATOM 25 CG PRO 149 -16.737 42.486 54.463 1.00168.04 C ATOM 26 C PRO 149 -15.475 44.499 57.336 1.00168.04 C ATOM 27 O PRO 149 -16.274 44.892 58.186 1.00168.04 O ATOM 28 N PHE 150 -14.172 44.302 57.609 1.00115.40 N ATOM 29 CA PHE 150 -13.777 44.468 58.978 1.00115.40 C ATOM 30 CB PHE 150 -12.794 43.400 59.481 1.00115.40 C ATOM 31 CG PHE 150 -13.549 42.119 59.475 1.00115.40 C ATOM 32 CD1 PHE 150 -14.279 41.728 60.574 1.00115.40 C ATOM 33 CD2 PHE 150 -13.533 41.317 58.360 1.00115.40 C ATOM 34 CE1 PHE 150 -14.982 40.546 60.558 1.00115.40 C ATOM 35 CE2 PHE 150 -14.232 40.135 58.340 1.00115.40 C ATOM 36 CZ PHE 150 -14.956 39.747 59.441 1.00115.40 C ATOM 37 C PHE 150 -13.153 45.804 59.165 1.00115.40 C ATOM 38 O PHE 150 -12.226 46.179 58.451 1.00115.40 O ATOM 39 N THR 151 -13.647 46.544 60.177 1.00 34.94 N ATOM 40 CA THR 151 -13.187 47.881 60.393 1.00 34.94 C ATOM 41 CB THR 151 -14.293 48.890 60.400 0.50 34.94 C ATOM 42 OG1 THR 151 -15.012 48.850 59.177 1.00 34.94 O ATOM 43 CG2 THR 151 -13.675 50.282 60.616 1.00 34.94 C ATOM 44 C THR 151 -12.547 47.986 61.733 1.00 34.94 C ATOM 45 O THR 151 -12.956 47.340 62.698 1.00 34.94 O ATOM 46 N CYS 152 -11.505 48.835 61.812 1.00 35.84 N ATOM 47 CA CYS 152 -10.847 49.083 63.056 1.00 35.84 C ATOM 48 CB CYS 152 -9.348 49.395 62.897 1.00 35.84 C ATOM 49 SG CYS 152 -8.514 49.671 64.486 1.00 35.84 S ATOM 50 C CYS 152 -11.524 50.288 63.620 1.00 35.84 C ATOM 51 O CYS 152 -11.699 51.295 62.935 1.00 35.84 O ATOM 52 N THR 153 -11.944 50.200 64.894 1.00104.74 N ATOM 53 CA THR 153 -12.698 51.256 65.503 1.00104.74 C ATOM 54 CB THR 153 -13.213 50.896 66.872 1.00104.74 C ATOM 55 OG1 THR 153 -14.099 51.901 67.344 1.00104.74 O ATOM 56 CG2 THR 153 -12.026 50.735 67.838 1.00104.74 C ATOM 57 C THR 153 -11.885 52.503 65.635 1.00104.74 C ATOM 58 O THR 153 -12.402 53.601 65.430 1.00104.74 O ATOM 59 N GLN 154 -10.604 52.378 66.034 1.00 96.39 N ATOM 60 CA GLN 154 -9.858 53.580 66.256 1.00 96.39 C ATOM 61 CB GLN 154 -8.545 53.313 67.011 1.00 96.39 C ATOM 62 CG GLN 154 -7.777 54.584 67.379 1.00 96.39 C ATOM 63 CD GLN 154 -6.669 54.193 68.348 1.00 96.39 C ATOM 64 OE1 GLN 154 -5.675 54.902 68.494 1.00 96.39 O ATOM 65 NE2 GLN 154 -6.841 53.028 69.029 1.00 96.39 N ATOM 66 C GLN 154 -9.550 54.317 64.979 1.00 96.39 C ATOM 67 O GLN 154 -9.943 55.472 64.825 1.00 96.39 O ATOM 68 N CYS 155 -8.846 53.671 64.022 1.00 51.06 N ATOM 69 CA CYS 155 -8.481 54.307 62.781 1.00 51.06 C ATOM 70 CB CYS 155 -7.342 53.578 62.043 1.00 51.06 C ATOM 71 SG CYS 155 -7.725 51.846 61.655 1.00 51.06 S ATOM 72 C CYS 155 -9.662 54.427 61.861 1.00 51.06 C ATOM 73 O CYS 155 -9.839 55.446 61.194 1.00 51.06 O ATOM 74 N GLY 156 -10.514 53.385 61.801 1.00 21.17 N ATOM 75 CA GLY 156 -11.645 53.422 60.917 1.00 21.17 C ATOM 76 C GLY 156 -11.282 52.770 59.611 1.00 21.17 C ATOM 77 O GLY 156 -12.089 52.740 58.683 1.00 21.17 O ATOM 78 N LYS 157 -10.055 52.223 59.502 1.00 72.02 N ATOM 79 CA LYS 157 -9.626 51.585 58.289 1.00 72.02 C ATOM 80 CB LYS 157 -8.118 51.280 58.281 1.00 72.02 C ATOM 81 CG LYS 157 -7.547 50.913 56.911 1.00 72.02 C ATOM 82 CD LYS 157 -6.019 50.942 56.886 1.00 72.02 C ATOM 83 CE LYS 157 -5.425 50.910 55.479 1.00 72.02 C ATOM 84 NZ LYS 157 -5.959 49.750 54.732 1.00 72.02 N ATOM 85 C LYS 157 -10.358 50.282 58.161 1.00 72.02 C ATOM 86 O LYS 157 -10.708 49.657 59.161 1.00 72.02 O ATOM 87 N SER 158 -10.618 49.843 56.910 1.00 34.87 N ATOM 88 CA SER 158 -11.342 48.618 56.701 1.00 34.87 C ATOM 89 CB SER 158 -12.533 48.767 55.741 1.00 34.87 C ATOM 90 OG SER 158 -13.521 49.607 56.319 1.00 34.87 O ATOM 91 C SER 158 -10.400 47.621 56.103 1.00 34.87 C ATOM 92 O SER 158 -9.458 47.989 55.403 1.00 34.87 O ATOM 93 N PHE 159 -10.634 46.320 56.377 1.00 58.18 N ATOM 94 CA PHE 159 -9.742 45.302 55.899 1.00 58.18 C ATOM 95 CB PHE 159 -8.884 44.681 57.013 1.00 58.18 C ATOM 96 CG PHE 159 -7.983 45.736 57.563 1.00 58.18 C ATOM 97 CD1 PHE 159 -8.423 46.603 58.536 1.00 58.18 C ATOM 98 CD2 PHE 159 -6.691 45.860 57.111 1.00 58.18 C ATOM 99 CE1 PHE 159 -7.599 47.574 59.053 1.00 58.18 C ATOM 100 CE2 PHE 159 -5.860 46.827 57.621 1.00 58.18 C ATOM 101 CZ PHE 159 -6.311 47.689 58.591 1.00 58.18 C ATOM 102 C PHE 159 -10.536 44.183 55.301 1.00 58.18 C ATOM 103 O PHE 159 -11.693 43.958 55.651 1.00 58.18 O ATOM 104 N SER 160 -9.893 43.451 54.367 1.00 80.76 N ATOM 105 CA SER 160 -10.468 42.349 53.648 1.00 80.76 C ATOM 106 CB SER 160 -9.533 41.831 52.544 1.00 80.76 C ATOM 107 OG SER 160 -9.224 42.882 51.642 1.00 80.76 O ATOM 108 C SER 160 -10.715 41.195 54.573 1.00 80.76 C ATOM 109 O SER 160 -11.687 40.461 54.399 1.00 80.76 O ATOM 110 N GLN 161 -9.828 40.976 55.565 1.00 52.48 N ATOM 111 CA GLN 161 -10.048 39.839 56.414 1.00 52.48 C ATOM 112 CB GLN 161 -9.129 38.637 56.120 1.00 52.48 C ATOM 113 CG GLN 161 -9.447 37.959 54.784 1.00 52.48 C ATOM 114 CD GLN 161 -8.657 36.661 54.709 1.00 52.48 C ATOM 115 OE1 GLN 161 -9.227 35.592 54.496 1.00 52.48 O ATOM 116 NE2 GLN 161 -7.312 36.750 54.888 1.00 52.48 N ATOM 117 C GLN 161 -9.865 40.219 57.847 1.00 52.48 C ATOM 118 O GLN 161 -9.106 41.126 58.182 1.00 52.48 O ATOM 119 N SER 162 -10.586 39.498 58.728 1.00 28.84 N ATOM 120 CA SER 162 -10.588 39.730 60.143 1.00 28.84 C ATOM 121 CB SER 162 -11.593 38.831 60.884 1.00 28.84 C ATOM 122 OG SER 162 -11.221 37.465 60.763 1.00 28.84 O ATOM 123 C SER 162 -9.230 39.462 60.714 1.00 28.84 C ATOM 124 O SER 162 -8.791 40.161 61.627 1.00 28.84 O ATOM 125 N SER 163 -8.522 38.444 60.187 1.00 63.14 N ATOM 126 CA SER 163 -7.236 38.107 60.722 1.00 63.14 C ATOM 127 CB SER 163 -6.580 36.930 59.982 1.00 63.14 C ATOM 128 OG SER 163 -5.311 36.650 60.553 1.00 63.14 O ATOM 129 C SER 163 -6.339 39.292 60.558 1.00 63.14 C ATOM 130 O SER 163 -5.593 39.654 61.467 1.00 63.14 O ATOM 131 N HIS 164 -6.393 39.942 59.382 1.00 73.26 N ATOM 132 CA HIS 164 -5.541 41.073 59.158 1.00 73.26 C ATOM 133 ND1 HIS 164 -5.785 40.140 55.704 1.00 73.26 N ATOM 134 CG HIS 164 -5.041 40.734 56.696 1.00 73.26 C ATOM 135 CB HIS 164 -5.607 41.656 57.733 1.00 73.26 C ATOM 136 NE2 HIS 164 -3.693 39.433 55.435 1.00 73.26 N ATOM 137 CD2 HIS 164 -3.766 40.292 56.518 1.00 73.26 C ATOM 138 CE1 HIS 164 -4.931 39.374 54.978 1.00 73.26 C ATOM 139 C HIS 164 -5.941 42.168 60.089 1.00 73.26 C ATOM 140 O HIS 164 -5.092 42.890 60.608 1.00 73.26 O ATOM 141 N LEU 165 -7.255 42.320 60.329 1.00102.60 N ATOM 142 CA LEU 165 -7.747 43.401 61.134 1.00102.60 C ATOM 143 CB LEU 165 -9.292 43.363 61.232 0.50102.60 C ATOM 144 CG LEU 165 -9.969 44.587 61.881 0.50102.60 C ATOM 145 CD1 LEU 165 -9.545 44.795 63.336 0.50102.60 C ATOM 146 CD2 LEU 165 -9.785 45.846 61.029 0.50102.60 C ATOM 147 C LEU 165 -7.163 43.273 62.510 1.00102.60 C ATOM 148 O LEU 165 -6.683 44.254 63.079 1.00102.60 O ATOM 149 N ASN 166 -7.165 42.052 63.081 1.00 86.80 N ATOM 150 CA ASN 166 -6.658 41.891 64.414 1.00 86.80 C ATOM 151 CB ASN 166 -6.898 40.482 65.005 1.00 86.80 C ATOM 152 CG ASN 166 -6.271 39.387 64.148 1.00 86.80 C ATOM 153 OD1 ASN 166 -6.962 38.713 63.385 1.00 86.80 O ATOM 154 ND2 ASN 166 -4.936 39.175 64.291 1.00 86.80 N ATOM 155 C ASN 166 -5.197 42.226 64.464 1.00 86.80 C ATOM 156 O ASN 166 -4.762 42.950 65.359 1.00 86.80 O ATOM 157 N GLU 167 -4.400 41.746 63.490 1.00 61.60 N ATOM 158 CA GLU 167 -2.988 42.015 63.521 1.00 61.60 C ATOM 159 CB GLU 167 -2.204 41.337 62.387 1.00 61.60 C ATOM 160 CG GLU 167 -1.961 39.849 62.633 1.00 61.60 C ATOM 161 CD GLU 167 -0.882 39.738 63.701 1.00 61.60 C ATOM 162 OE1 GLU 167 0.272 40.156 63.417 1.00 61.60 O ATOM 163 OE2 GLU 167 -1.195 39.238 64.814 1.00 61.60 O ATOM 164 C GLU 167 -2.774 43.485 63.387 1.00 61.60 C ATOM 165 O GLU 167 -1.874 44.046 64.011 1.00 61.60 O ATOM 166 N HIS 168 -3.603 44.132 62.547 1.00 34.85 N ATOM 167 CA HIS 168 -3.529 45.543 62.301 1.00 34.85 C ATOM 168 ND1 HIS 168 -3.981 48.257 60.518 1.00 34.85 N ATOM 169 CG HIS 168 -4.753 47.582 61.440 1.00 34.85 C ATOM 170 CB HIS 168 -4.788 46.093 61.614 1.00 34.85 C ATOM 171 NE2 HIS 168 -5.119 49.800 61.647 1.00 34.85 N ATOM 172 CD2 HIS 168 -5.439 48.540 62.120 1.00 34.85 C ATOM 173 CE1 HIS 168 -4.240 49.580 60.687 1.00 34.85 C ATOM 174 C HIS 168 -3.341 46.313 63.601 1.00 34.85 C ATOM 175 O HIS 168 -4.182 46.167 64.528 1.00 34.85 O ATOM 176 OXT HIS 168 -2.335 47.067 63.675 1.00 34.85 O