EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:13:54 REMARK 6 MODELLER OBJECTIVE FUNCTION: 84.7090 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 40.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1417.55176 REMARK 6 GA341 score: 0.97673 REMARK 6 Normalized DOPE score: -0.88558 REMARK 6 TEMPLATE: 1llmC01 101:C - 125:C MODELS 1: - 25: AT 40.0% ATOM 1 N GLU 118 -5.387 38.752 57.386 1.00 47.32 N ATOM 2 CA GLU 118 -5.279 39.248 55.994 1.00 47.32 C ATOM 3 CB GLU 118 -6.260 40.400 55.747 1.00 47.32 C ATOM 4 CG GLU 118 -7.732 39.992 55.719 1.00 47.32 C ATOM 5 CD GLU 118 -8.519 41.256 55.408 1.00 47.32 C ATOM 6 OE1 GLU 118 -8.049 42.357 55.801 1.00 47.32 O ATOM 7 OE2 GLU 118 -9.595 41.141 54.763 1.00 47.32 O ATOM 8 C GLU 118 -3.908 39.767 55.720 1.00 47.32 C ATOM 9 O GLU 118 -2.977 39.542 56.492 1.00 47.32 O ATOM 10 N LYS 119 -3.749 40.472 54.583 1.00 62.78 N ATOM 11 CA LYS 119 -2.460 40.994 54.237 1.00 62.78 C ATOM 12 CB LYS 119 -1.936 40.345 52.948 1.00 62.78 C ATOM 13 CG LYS 119 -1.873 38.815 53.060 1.00 62.78 C ATOM 14 CD LYS 119 -1.810 38.094 51.715 1.00 62.78 C ATOM 15 CE LYS 119 -1.936 36.572 51.837 1.00 62.78 C ATOM 16 NZ LYS 119 -2.227 35.977 50.516 1.00 62.78 N ATOM 17 C LYS 119 -2.637 42.462 53.991 1.00 62.78 C ATOM 18 O LYS 119 -2.914 42.896 52.875 1.00 62.78 O ATOM 19 N PRO 120 -2.496 43.232 55.038 1.00 80.50 N ATOM 20 CA PRO 120 -2.656 44.665 55.006 1.00 80.50 C ATOM 21 CD PRO 120 -2.545 42.696 56.388 1.00 80.50 C ATOM 22 CB PRO 120 -2.892 45.084 56.457 1.00 80.50 C ATOM 23 CG PRO 120 -2.330 43.922 57.292 1.00 80.50 C ATOM 24 C PRO 120 -1.571 45.487 54.368 1.00 80.50 C ATOM 25 O PRO 120 -1.846 46.639 54.033 1.00 80.50 O ATOM 26 N PHE 121 -0.342 44.967 54.197 1.00 60.86 N ATOM 27 CA PHE 121 0.683 45.864 53.736 1.00 60.86 C ATOM 28 CB PHE 121 1.983 45.748 54.548 1.00 60.86 C ATOM 29 CG PHE 121 1.613 45.993 55.971 1.00 60.86 C ATOM 30 CD1 PHE 121 1.055 44.976 56.709 1.00 60.86 C ATOM 31 CD2 PHE 121 1.816 47.219 56.558 1.00 60.86 C ATOM 32 CE1 PHE 121 0.703 45.177 58.023 1.00 60.86 C ATOM 33 CE2 PHE 121 1.463 47.426 57.872 1.00 60.86 C ATOM 34 CZ PHE 121 0.907 46.405 58.606 1.00 60.86 C ATOM 35 C PHE 121 1.025 45.532 52.324 1.00 60.86 C ATOM 36 O PHE 121 1.288 44.378 51.994 1.00 60.86 O ATOM 37 N THR 122 1.073 46.558 51.451 1.00110.34 N ATOM 38 CA THR 122 1.338 46.272 50.073 1.00110.34 C ATOM 39 CB THR 122 0.275 46.755 49.125 0.50110.34 C ATOM 40 OG1 THR 122 0.189 48.171 49.167 1.00110.34 O ATOM 41 CG2 THR 122 -1.075 46.131 49.513 1.00110.34 C ATOM 42 C THR 122 2.609 46.934 49.646 1.00110.34 C ATOM 43 O THR 122 2.985 48.001 50.134 1.00110.34 O ATOM 44 N CYS 123 3.309 46.278 48.698 1.00 39.21 N ATOM 45 CA CYS 123 4.515 46.817 48.139 1.00 39.21 C ATOM 46 CB CYS 123 5.468 45.756 47.568 1.00 39.21 C ATOM 47 SG CYS 123 6.977 46.492 46.869 1.00 39.21 S ATOM 48 C CYS 123 4.080 47.689 47.005 1.00 39.21 C ATOM 49 O CYS 123 3.205 47.327 46.219 1.00 39.21 O ATOM 50 N THR 124 4.680 48.888 46.908 1.00110.11 N ATOM 51 CA THR 124 4.258 49.842 45.927 1.00110.11 C ATOM 52 CB THR 124 4.944 51.170 46.079 1.00110.11 C ATOM 53 OG1 THR 124 4.382 52.111 45.178 1.00110.11 O ATOM 54 CG2 THR 124 6.454 51.014 45.815 1.00110.11 C ATOM 55 C THR 124 4.501 49.354 44.533 1.00110.11 C ATOM 56 O THR 124 3.636 49.513 43.671 1.00110.11 O ATOM 57 N GLN 125 5.694 48.801 44.244 1.00 73.38 N ATOM 58 CA GLN 125 5.917 48.429 42.878 1.00 73.38 C ATOM 59 CB GLN 125 7.398 48.264 42.516 1.00 73.38 C ATOM 60 CG GLN 125 8.112 49.613 42.570 1.00 73.38 C ATOM 61 CD GLN 125 9.451 49.490 41.874 1.00 73.38 C ATOM 62 OE1 GLN 125 9.850 50.379 41.124 1.00 73.38 O ATOM 63 NE2 GLN 125 10.171 48.365 42.131 1.00 73.38 N ATOM 64 C GLN 125 5.170 47.204 42.457 1.00 73.38 C ATOM 65 O GLN 125 4.459 47.229 41.451 1.00 73.38 O ATOM 66 N CYS 126 5.312 46.098 43.218 1.00 95.22 N ATOM 67 CA CYS 126 4.670 44.862 42.858 1.00 95.22 C ATOM 68 CB CYS 126 5.025 43.687 43.774 1.00 95.22 C ATOM 69 SG CYS 126 6.789 43.314 43.819 1.00 95.22 S ATOM 70 C CYS 126 3.201 44.999 43.038 1.00 95.22 C ATOM 71 O CYS 126 2.410 44.627 42.174 1.00 95.22 O ATOM 72 N GLY 127 2.798 45.556 44.191 1.00 22.25 N ATOM 73 CA GLY 127 1.405 45.656 44.493 1.00 22.25 C ATOM 74 C GLY 127 1.025 44.430 45.257 1.00 22.25 C ATOM 75 O GLY 127 -0.148 44.216 45.559 1.00 22.25 O ATOM 76 N LYS 128 2.019 43.579 45.580 1.00 52.07 N ATOM 77 CA LYS 128 1.739 42.385 46.324 1.00 52.07 C ATOM 78 CB LYS 128 2.888 41.359 46.292 1.00 52.07 C ATOM 79 CG LYS 128 2.556 40.057 47.019 1.00 52.07 C ATOM 80 CD LYS 128 3.494 38.896 46.673 1.00 52.07 C ATOM 81 CE LYS 128 3.082 37.561 47.299 1.00 52.07 C ATOM 82 NZ LYS 128 3.783 36.443 46.631 1.00 52.07 N ATOM 83 C LYS 128 1.483 42.784 47.744 1.00 52.07 C ATOM 84 O LYS 128 2.055 43.759 48.231 1.00 52.07 O ATOM 85 N SER 129 0.598 42.036 48.446 1.00 79.91 N ATOM 86 CA SER 129 0.257 42.362 49.807 1.00 79.91 C ATOM 87 CB SER 129 -1.255 42.385 50.091 1.00 79.91 C ATOM 88 OG SER 129 -1.827 41.103 49.874 1.00 79.91 O ATOM 89 C SER 129 0.859 41.340 50.715 1.00 79.91 C ATOM 90 O SER 129 1.055 40.187 50.332 1.00 79.91 O ATOM 91 N PHE 130 1.172 41.755 51.960 1.00 60.69 N ATOM 92 CA PHE 130 1.811 40.872 52.890 1.00 60.69 C ATOM 93 CB PHE 130 3.277 41.251 53.142 1.00 60.69 C ATOM 94 CG PHE 130 3.972 41.127 51.833 1.00 60.69 C ATOM 95 CD1 PHE 130 3.864 42.125 50.893 1.00 60.69 C ATOM 96 CD2 PHE 130 4.728 40.019 51.537 1.00 60.69 C ATOM 97 CE1 PHE 130 4.496 42.022 49.677 1.00 60.69 C ATOM 98 CE2 PHE 130 5.363 39.911 50.323 1.00 60.69 C ATOM 99 CZ PHE 130 5.251 40.911 49.387 1.00 60.69 C ATOM 100 C PHE 130 1.093 40.930 54.202 1.00 60.69 C ATOM 101 O PHE 130 0.465 41.928 54.554 1.00 60.69 O ATOM 102 N SER 131 1.167 39.811 54.949 1.00 83.92 N ATOM 103 CA SER 131 0.540 39.644 56.229 1.00 83.92 C ATOM 104 CB SER 131 0.622 38.191 56.724 1.00 83.92 C ATOM 105 OG SER 131 -0.049 37.333 55.815 1.00 83.92 O ATOM 106 C SER 131 1.228 40.487 57.257 1.00 83.92 C ATOM 107 O SER 131 0.581 40.980 58.181 1.00 83.92 O ATOM 108 N LYS 132 2.562 40.672 57.136 1.00119.78 N ATOM 109 CA LYS 132 3.264 41.381 58.175 1.00119.78 C ATOM 110 CB LYS 132 4.383 40.543 58.827 1.00119.78 C ATOM 111 CG LYS 132 3.923 39.310 59.618 1.00119.78 C ATOM 112 CD LYS 132 3.112 39.609 60.879 1.00119.78 C ATOM 113 CE LYS 132 3.013 38.409 61.828 1.00119.78 C ATOM 114 NZ LYS 132 4.321 38.177 62.484 1.00119.78 N ATOM 115 C LYS 132 3.959 42.584 57.609 1.00119.78 C ATOM 116 O LYS 132 4.502 42.541 56.506 1.00119.78 O ATOM 117 N SER 133 3.971 43.692 58.382 1.00 26.99 N ATOM 118 CA SER 133 4.624 44.899 57.964 1.00 26.99 C ATOM 119 CB SER 133 4.409 46.078 58.934 1.00 26.99 C ATOM 120 OG SER 133 5.026 45.814 60.188 1.00 26.99 O ATOM 121 C SER 133 6.097 44.641 57.893 1.00 26.99 C ATOM 122 O SER 133 6.788 45.160 57.019 1.00 26.99 O ATOM 123 N SER 134 6.621 43.822 58.820 1.00 67.57 N ATOM 124 CA SER 134 8.032 43.566 58.839 1.00 67.57 C ATOM 125 CB SER 134 8.465 42.686 60.024 1.00 67.57 C ATOM 126 OG SER 134 8.278 43.383 61.246 1.00 67.57 O ATOM 127 C SER 134 8.413 42.856 57.578 1.00 67.57 C ATOM 128 O SER 134 9.457 43.144 56.994 1.00 67.57 O ATOM 129 N ASN 135 7.566 41.909 57.132 1.00 29.23 N ATOM 130 CA ASN 135 7.842 41.137 55.955 1.00 29.23 C ATOM 131 CB ASN 135 6.795 40.036 55.696 1.00 29.23 C ATOM 132 CG ASN 135 6.993 38.935 56.727 1.00 29.23 C ATOM 133 OD1 ASN 135 8.104 38.445 56.920 1.00 29.23 O ATOM 134 ND2 ASN 135 5.892 38.534 57.418 1.00 29.23 N ATOM 135 C ASN 135 7.850 42.048 54.767 1.00 29.23 C ATOM 136 O ASN 135 8.674 41.904 53.865 1.00 29.23 O ATOM 137 N LEU 136 6.929 43.025 54.728 1.00104.53 N ATOM 138 CA LEU 136 6.880 43.903 53.604 1.00104.53 C ATOM 139 CB LEU 136 5.682 44.867 53.669 0.50104.53 C ATOM 140 CG LEU 136 5.444 45.684 52.383 0.50104.53 C ATOM 141 CD1 LEU 136 6.586 46.666 52.102 0.50104.53 C ATOM 142 CD2 LEU 136 5.126 44.781 51.180 0.50104.53 C ATOM 143 C LEU 136 8.165 44.677 53.592 1.00104.53 C ATOM 144 O LEU 136 8.726 44.952 52.532 1.00104.53 O ATOM 145 N ASN 137 8.671 45.026 54.791 1.00 75.51 N ATOM 146 CA ASN 137 9.860 45.815 54.953 1.00 75.51 C ATOM 147 CB ASN 137 10.189 45.984 56.451 1.00 75.51 C ATOM 148 CG ASN 137 11.234 47.071 56.649 1.00 75.51 C ATOM 149 OD1 ASN 137 11.931 47.465 55.716 1.00 75.51 O ATOM 150 ND2 ASN 137 11.351 47.565 57.911 1.00 75.51 N ATOM 151 C ASN 137 11.013 45.108 54.297 1.00 75.51 C ATOM 152 O ASN 137 11.752 45.710 53.520 1.00 75.51 O ATOM 153 N LYS 138 11.181 43.800 54.576 1.00 33.05 N ATOM 154 CA LYS 138 12.259 43.016 54.026 1.00 33.05 C ATOM 155 CB LYS 138 12.264 41.576 54.565 1.00 33.05 C ATOM 156 CG LYS 138 12.539 41.482 56.065 1.00 33.05 C ATOM 157 CD LYS 138 12.179 40.119 56.662 1.00 33.05 C ATOM 158 CE LYS 138 12.487 40.026 58.156 1.00 33.05 C ATOM 159 NZ LYS 138 11.996 38.745 58.711 1.00 33.05 N ATOM 160 C LYS 138 12.081 42.909 52.543 1.00 33.05 C ATOM 161 O LYS 138 13.041 42.955 51.776 1.00 33.05 O ATOM 162 N HIS 139 10.819 42.762 52.112 1.00 53.75 N ATOM 163 CA HIS 139 10.451 42.579 50.738 1.00 53.75 C ATOM 164 ND1 HIS 139 8.477 40.981 48.542 1.00 53.75 N ATOM 165 CG HIS 139 8.437 42.186 49.211 1.00 53.75 C ATOM 166 CB HIS 139 8.926 42.395 50.612 1.00 53.75 C ATOM 167 NE2 HIS 139 7.554 42.451 47.151 1.00 53.75 N ATOM 168 CD2 HIS 139 7.871 43.071 48.347 1.00 53.75 C ATOM 169 CE1 HIS 139 7.938 41.197 47.316 1.00 53.75 C ATOM 170 C HIS 139 10.858 43.777 49.927 1.00 53.75 C ATOM 171 O HIS 139 11.341 43.639 48.803 1.00 53.75 O ATOM 172 N MET 140 10.694 44.987 50.494 1.00107.59 N ATOM 173 CA MET 140 10.938 46.217 49.793 1.00107.59 C ATOM 174 CB MET 140 10.678 47.447 50.679 1.00107.59 C ATOM 175 CG MET 140 10.911 48.788 49.979 1.00107.59 C ATOM 176 SD MET 140 10.601 50.235 51.038 1.00107.59 S ATOM 177 CE MET 140 11.204 51.472 49.854 1.00107.59 C ATOM 178 C MET 140 12.370 46.300 49.369 1.00107.59 C ATOM 179 O MET 140 12.663 46.699 48.242 1.00107.59 O ATOM 180 N MET 141 13.304 45.890 50.247 1.00 28.63 N ATOM 181 CA MET 141 14.692 46.076 49.941 1.00 28.63 C ATOM 182 CB MET 141 15.625 45.542 51.034 1.00 28.63 C ATOM 183 CG MET 141 15.500 46.314 52.345 1.00 28.63 C ATOM 184 SD MET 141 16.350 45.539 53.747 1.00 28.63 S ATOM 185 CE MET 141 15.210 44.128 53.855 1.00 28.63 C ATOM 186 C MET 141 15.007 45.348 48.679 1.00 28.63 C ATOM 187 O MET 141 15.703 45.877 47.813 1.00 28.63 O ATOM 188 N SER 142 14.486 44.116 48.533 1.00 18.92 N ATOM 189 CA SER 142 14.751 43.360 47.344 1.00 18.92 C ATOM 190 CB SER 142 14.405 41.864 47.486 1.00 18.92 C ATOM 191 OG SER 142 13.018 41.708 47.739 1.00 18.92 O ATOM 192 C SER 142 13.942 43.966 46.198 1.00 18.92 C ATOM 193 O SER 142 14.218 45.148 45.851 1.00 18.92 O ATOM 194 OXT SER 142 13.052 43.258 45.656 1.00 18.92 O