EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:19 REMARK 6 MODELLER OBJECTIVE FUNCTION: 88.2455 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 46.154 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1760.54944 REMARK 6 GA341 score: 0.97068 REMARK 6 Normalized DOPE score: -0.71075 REMARK 6 TEMPLATE: 1llmC01 101:C - 126:C MODELS 1: - 26: AT 46.2% ATOM 1 N GLU 109 -3.103 27.654 73.555 1.00 31.35 N ATOM 2 CA GLU 109 -3.946 28.734 72.997 1.00 31.35 C ATOM 3 CB GLU 109 -4.929 29.230 74.074 1.00 31.35 C ATOM 4 CG GLU 109 -6.100 30.051 73.531 1.00 31.35 C ATOM 5 CD GLU 109 -7.160 30.106 74.624 1.00 31.35 C ATOM 6 OE1 GLU 109 -6.905 29.539 75.719 1.00 31.35 O ATOM 7 OE2 GLU 109 -8.239 30.709 74.379 1.00 31.35 O ATOM 8 C GLU 109 -3.068 29.850 72.531 1.00 31.35 C ATOM 9 O GLU 109 -1.845 29.754 72.620 1.00 31.35 O ATOM 10 N LYS 110 -3.659 30.935 71.990 1.00100.09 N ATOM 11 CA LYS 110 -2.814 31.986 71.495 1.00100.09 C ATOM 12 CB LYS 110 -3.083 32.324 70.018 1.00100.09 C ATOM 13 CG LYS 110 -3.355 31.100 69.142 1.00100.09 C ATOM 14 CD LYS 110 -4.744 30.514 69.416 1.00100.09 C ATOM 15 CE LYS 110 -5.112 29.312 68.549 1.00100.09 C ATOM 16 NZ LYS 110 -6.393 28.735 69.015 1.00100.09 N ATOM 17 C LYS 110 -3.163 33.228 72.254 1.00100.09 C ATOM 18 O LYS 110 -4.021 34.007 71.840 1.00100.09 O ATOM 19 N PRO 111 -2.518 33.424 73.362 1.00 83.91 N ATOM 20 CA PRO 111 -2.790 34.580 74.174 1.00 83.91 C ATOM 21 CD PRO 111 -2.083 32.294 74.164 1.00 83.91 C ATOM 22 CB PRO 111 -2.332 34.223 75.594 1.00 83.91 C ATOM 23 CG PRO 111 -1.507 32.937 75.432 1.00 83.91 C ATOM 24 C PRO 111 -2.267 35.901 73.694 1.00 83.91 C ATOM 25 O PRO 111 -2.745 36.919 74.189 1.00 83.91 O ATOM 26 N PHE 112 -1.302 35.950 72.758 1.00 60.57 N ATOM 27 CA PHE 112 -0.776 37.253 72.459 1.00 60.57 C ATOM 28 CB PHE 112 0.759 37.302 72.486 1.00 60.57 C ATOM 29 CG PHE 112 1.149 36.951 73.880 1.00 60.57 C ATOM 30 CD1 PHE 112 1.209 35.631 74.263 1.00 60.57 C ATOM 31 CD2 PHE 112 1.447 37.927 74.804 1.00 60.57 C ATOM 32 CE1 PHE 112 1.566 35.286 75.544 1.00 60.57 C ATOM 33 CE2 PHE 112 1.804 37.587 76.088 1.00 60.57 C ATOM 34 CZ PHE 112 1.863 36.265 76.461 1.00 60.57 C ATOM 35 C PHE 112 -1.236 37.680 71.106 1.00 60.57 C ATOM 36 O PHE 112 -1.037 36.974 70.119 1.00 60.57 O ATOM 37 N ARG 113 -1.847 38.881 71.022 1.00 88.10 N ATOM 38 CA ARG 113 -2.372 39.308 69.758 1.00 88.10 C ATOM 39 CB ARG 113 -3.891 39.545 69.779 0.50 88.10 C ATOM 40 CG ARG 113 -4.324 40.598 70.796 0.50 88.10 C ATOM 41 CD ARG 113 -5.838 40.659 70.995 0.50 88.10 C ATOM 42 NE ARG 113 -6.090 41.527 72.177 1.00 88.10 N ATOM 43 CZ ARG 113 -5.925 41.003 73.427 1.00 88.10 C ATOM 44 NH1 ARG 113 -5.479 39.721 73.565 1.00 88.10 N ATOM 45 NH2 ARG 113 -6.192 41.759 74.531 1.00 88.10 N ATOM 46 C ARG 113 -1.722 40.582 69.330 1.00 88.10 C ATOM 47 O ARG 113 -1.356 41.427 70.146 1.00 88.10 O ATOM 48 N CYS 114 -1.558 40.724 68.000 1.00 34.42 N ATOM 49 CA CYS 114 -0.986 41.898 67.412 1.00 34.42 C ATOM 50 CB CYS 114 -0.375 41.640 66.021 1.00 34.42 C ATOM 51 SG CYS 114 0.349 43.126 65.264 1.00 34.42 S ATOM 52 C CYS 114 -2.109 42.865 67.245 1.00 34.42 C ATOM 53 O CYS 114 -3.177 42.518 66.746 1.00 34.42 O ATOM 54 N ILE 115 -1.892 44.115 67.689 1.00 85.13 N ATOM 55 CA ILE 115 -2.924 45.106 67.637 1.00 85.13 C ATOM 56 CB ILE 115 -2.551 46.373 68.355 1.00 85.13 C ATOM 57 CG1 ILE 115 -3.787 47.270 68.545 1.00 85.13 C ATOM 58 CG2 ILE 115 -1.388 47.036 67.598 1.00 85.13 C ATOM 59 CD1 ILE 115 -3.570 48.416 69.533 1.00 85.13 C ATOM 60 C ILE 115 -3.260 45.441 66.215 1.00 85.13 C ATOM 61 O ILE 115 -4.432 45.638 65.891 1.00 85.13 O ATOM 62 N GLN 116 -2.243 45.572 65.334 1.00 95.87 N ATOM 63 CA GLN 116 -2.545 45.965 63.983 1.00 95.87 C ATOM 64 CB GLN 116 -1.284 46.284 63.159 1.00 95.87 C ATOM 65 CG GLN 116 -0.721 47.685 63.396 1.00 95.87 C ATOM 66 CD GLN 116 -1.527 48.631 62.514 1.00 95.87 C ATOM 67 OE1 GLN 116 -1.409 49.851 62.611 1.00 95.87 O ATOM 68 NE2 GLN 116 -2.372 48.047 61.624 1.00 95.87 N ATOM 69 C GLN 116 -3.313 44.923 63.220 1.00 95.87 C ATOM 70 O GLN 116 -4.435 45.177 62.781 1.00 95.87 O ATOM 71 N CYS 117 -2.726 43.720 63.041 1.00 55.85 N ATOM 72 CA CYS 117 -3.362 42.675 62.279 1.00 55.85 C ATOM 73 CB CYS 117 -2.380 41.584 61.816 1.00 55.85 C ATOM 74 SG CYS 117 -1.545 40.746 63.194 1.00 55.85 S ATOM 75 C CYS 117 -4.468 42.033 63.059 1.00 55.85 C ATOM 76 O CYS 117 -5.530 41.732 62.516 1.00 55.85 O ATOM 77 N GLY 118 -4.252 41.809 64.369 1.00 23.53 N ATOM 78 CA GLY 118 -5.254 41.169 65.171 1.00 23.53 C ATOM 79 C GLY 118 -4.981 39.693 65.223 1.00 23.53 C ATOM 80 O GLY 118 -5.761 38.935 65.797 1.00 23.53 O ATOM 81 N LYS 119 -3.864 39.240 64.621 1.00 67.78 N ATOM 82 CA LYS 119 -3.537 37.840 64.649 1.00 67.78 C ATOM 83 CB LYS 119 -2.410 37.452 63.673 1.00 67.78 C ATOM 84 CG LYS 119 -2.069 35.962 63.704 1.00 67.78 C ATOM 85 CD LYS 119 -1.158 35.507 62.562 1.00 67.78 C ATOM 86 CE LYS 119 -1.905 35.246 61.256 1.00 67.78 C ATOM 87 NZ LYS 119 -0.966 34.754 60.225 1.00 67.78 N ATOM 88 C LYS 119 -3.089 37.491 66.037 1.00 67.78 C ATOM 89 O LYS 119 -2.551 38.331 66.760 1.00 67.78 O ATOM 90 N SER 120 -3.318 36.225 66.451 1.00 78.57 N ATOM 91 CA SER 120 -2.946 35.795 67.771 1.00 78.57 C ATOM 92 CB SER 120 -4.067 35.048 68.510 1.00 78.57 C ATOM 93 OG SER 120 -4.346 33.822 67.852 1.00 78.57 O ATOM 94 C SER 120 -1.809 34.833 67.640 1.00 78.57 C ATOM 95 O SER 120 -1.699 34.113 66.649 1.00 78.57 O ATOM 96 N PHE 121 -0.918 34.806 68.653 1.00 56.17 N ATOM 97 CA PHE 121 0.220 33.936 68.583 1.00 56.17 C ATOM 98 CB PHE 121 1.547 34.680 68.332 1.00 56.17 C ATOM 99 CG PHE 121 1.459 35.370 67.008 1.00 56.17 C ATOM 100 CD1 PHE 121 0.925 36.635 66.921 1.00 56.17 C ATOM 101 CD2 PHE 121 1.908 34.767 65.855 1.00 56.17 C ATOM 102 CE1 PHE 121 0.836 37.288 65.712 1.00 56.17 C ATOM 103 CE2 PHE 121 1.822 35.414 64.641 1.00 56.17 C ATOM 104 CZ PHE 121 1.284 36.676 64.568 1.00 56.17 C ATOM 105 C PHE 121 0.353 33.209 69.884 1.00 56.17 C ATOM 106 O PHE 121 -0.065 33.688 70.938 1.00 56.17 O ATOM 107 N SER 122 0.933 31.997 69.815 1.00 83.64 N ATOM 108 CA SER 122 1.132 31.130 70.939 1.00 83.64 C ATOM 109 CB SER 122 1.603 29.732 70.516 1.00 83.64 C ATOM 110 OG SER 122 0.626 29.120 69.688 1.00 83.64 O ATOM 111 C SER 122 2.194 31.684 71.838 1.00 83.64 C ATOM 112 O SER 122 2.169 31.449 73.046 1.00 83.64 O ATOM 113 N GLN 123 3.173 32.425 71.276 1.00 81.91 N ATOM 114 CA GLN 123 4.257 32.864 72.113 1.00 81.91 C ATOM 115 CB GLN 123 5.605 32.237 71.727 1.00 81.91 C ATOM 116 CG GLN 123 5.601 30.708 71.780 1.00 81.91 C ATOM 117 CD GLN 123 5.452 30.283 73.231 1.00 81.91 C ATOM 118 OE1 GLN 123 5.677 31.069 74.149 1.00 81.91 O ATOM 119 NE2 GLN 123 5.063 28.998 73.439 1.00 81.91 N ATOM 120 C GLN 123 4.431 34.349 72.006 1.00 81.91 C ATOM 121 O GLN 123 4.274 34.941 70.940 1.00 81.91 O ATOM 122 N SER 124 4.785 34.980 73.144 1.00 67.86 N ATOM 123 CA SER 124 4.968 36.399 73.225 1.00 67.86 C ATOM 124 CB SER 124 5.245 36.880 74.657 1.00 67.86 C ATOM 125 OG SER 124 5.421 38.289 74.665 1.00 67.86 O ATOM 126 C SER 124 6.150 36.801 72.397 1.00 67.86 C ATOM 127 O SER 124 6.135 37.847 71.750 1.00 67.86 O ATOM 128 N SER 125 7.218 35.979 72.397 1.00 25.29 N ATOM 129 CA SER 125 8.407 36.317 71.664 1.00 25.29 C ATOM 130 CB SER 125 9.540 35.290 71.857 1.00 25.29 C ATOM 131 OG SER 125 9.165 34.038 71.305 1.00 25.29 O ATOM 132 C SER 125 8.075 36.363 70.204 1.00 25.29 C ATOM 133 O SER 125 8.548 37.237 69.478 1.00 25.29 O ATOM 134 N HIS 126 7.237 35.416 69.740 1.00 66.29 N ATOM 135 CA HIS 126 6.857 35.347 68.359 1.00 66.29 C ATOM 136 ND1 HIS 126 7.161 32.255 69.319 1.00 66.29 N ATOM 137 CG HIS 126 6.780 32.834 68.129 1.00 66.29 C ATOM 138 CB HIS 126 6.002 34.111 68.034 1.00 66.29 C ATOM 139 NE2 HIS 126 7.926 30.938 67.699 1.00 66.29 N ATOM 140 CD2 HIS 126 7.256 32.017 67.151 1.00 66.29 C ATOM 141 CE1 HIS 126 7.842 31.124 69.004 1.00 66.29 C ATOM 142 C HIS 126 6.064 36.568 68.013 1.00 66.29 C ATOM 143 O HIS 126 6.183 37.101 66.912 1.00 66.29 O ATOM 144 N LEU 127 5.215 37.038 68.945 1.00 35.53 N ATOM 145 CA LEU 127 4.423 38.207 68.696 1.00 35.53 C ATOM 146 CB LEU 127 3.480 38.561 69.858 0.50 35.53 C ATOM 147 CG LEU 127 2.661 39.843 69.613 0.50 35.53 C ATOM 148 CD1 LEU 127 1.683 39.675 68.439 0.50 35.53 C ATOM 149 CD2 LEU 127 1.982 40.336 70.901 0.50 35.53 C ATOM 150 C LEU 127 5.341 39.370 68.501 1.00 35.53 C ATOM 151 O LEU 127 5.126 40.205 67.624 1.00 35.53 O ATOM 152 N ASN 128 6.408 39.450 69.317 1.00 76.43 N ATOM 153 CA ASN 128 7.310 40.567 69.255 1.00 76.43 C ATOM 154 CB ASN 128 8.445 40.476 70.289 1.00 76.43 C ATOM 155 CG ASN 128 9.304 41.723 70.144 1.00 76.43 C ATOM 156 OD1 ASN 128 8.879 42.828 70.479 1.00 76.43 O ATOM 157 ND2 ASN 128 10.549 41.545 69.626 1.00 76.43 N ATOM 158 C ASN 128 7.949 40.633 67.903 1.00 76.43 C ATOM 159 O ASN 128 8.049 41.707 67.313 1.00 76.43 O ATOM 160 N GLU 129 8.397 39.480 67.372 1.00 95.05 N ATOM 161 CA GLU 129 9.067 39.442 66.100 1.00 95.05 C ATOM 162 CB GLU 129 9.539 38.026 65.731 1.00 95.05 C ATOM 163 CG GLU 129 10.411 37.976 64.478 1.00 95.05 C ATOM 164 CD GLU 129 11.821 38.378 64.885 1.00 95.05 C ATOM 165 OE1 GLU 129 11.958 39.399 65.609 1.00 95.05 O ATOM 166 OE2 GLU 129 12.779 37.660 64.488 1.00 95.05 O ATOM 167 C GLU 129 8.102 39.873 65.041 1.00 95.05 C ATOM 168 O GLU 129 8.449 40.631 64.136 1.00 95.05 O ATOM 169 N HIS 130 6.847 39.409 65.155 1.00 53.88 N ATOM 170 CA HIS 130 5.821 39.673 64.190 1.00 53.88 C ATOM 171 ND1 HIS 130 3.108 38.743 62.449 1.00 53.88 N ATOM 172 CG HIS 130 3.356 39.338 63.667 1.00 53.88 C ATOM 173 CB HIS 130 4.494 38.996 64.575 1.00 53.88 C ATOM 174 NE2 HIS 130 1.507 40.255 62.755 1.00 53.88 N ATOM 175 CD2 HIS 130 2.370 40.258 63.837 1.00 53.88 C ATOM 176 CE1 HIS 130 1.993 39.329 61.949 1.00 53.88 C ATOM 177 C HIS 130 5.573 41.147 64.093 1.00 53.88 C ATOM 178 O HIS 130 5.420 41.679 62.994 1.00 53.88 O ATOM 179 N MET 131 5.564 41.848 65.240 1.00108.74 N ATOM 180 CA MET 131 5.262 43.252 65.295 1.00108.74 C ATOM 181 CB MET 131 5.302 43.818 66.728 1.00108.74 C ATOM 182 CG MET 131 4.150 43.360 67.623 1.00108.74 C ATOM 183 SD MET 131 2.564 44.192 67.307 1.00108.74 S ATOM 184 CE MET 131 3.095 45.782 68.000 1.00108.74 C ATOM 185 C MET 131 6.282 44.009 64.506 1.00108.74 C ATOM 186 O MET 131 5.969 45.017 63.875 1.00108.74 O ATOM 187 N LYS 132 7.534 43.527 64.504 1.00 60.80 N ATOM 188 CA LYS 132 8.611 44.234 63.878 1.00 60.80 C ATOM 189 CB LYS 132 9.941 43.465 63.941 1.00 60.80 C ATOM 190 CG LYS 132 10.426 43.229 65.374 1.00 60.80 C ATOM 191 CD LYS 132 11.554 42.199 65.480 1.00 60.80 C ATOM 192 CE LYS 132 12.030 41.950 66.911 1.00 60.80 C ATOM 193 NZ LYS 132 12.723 43.148 67.431 1.00 60.80 N ATOM 194 C LYS 132 8.268 44.468 62.444 1.00 60.80 C ATOM 195 O LYS 132 8.630 45.503 61.886 1.00 60.80 O ATOM 196 N ILE 133 7.551 43.526 61.802 1.00 78.93 N ATOM 197 CA ILE 133 7.257 43.728 60.413 1.00 78.93 C ATOM 198 CB ILE 133 6.493 42.592 59.781 1.00 78.93 C ATOM 199 CG1 ILE 133 6.491 42.747 58.252 1.00 78.93 C ATOM 200 CG2 ILE 133 5.086 42.513 60.400 1.00 78.93 C ATOM 201 CD1 ILE 133 5.974 41.519 57.502 1.00 78.93 C ATOM 202 C ILE 133 6.470 44.996 60.275 1.00 78.93 C ATOM 203 O ILE 133 6.770 45.822 59.415 1.00 78.93 O ATOM 204 N HIS 134 5.458 45.210 61.135 1.00 24.01 N ATOM 205 CA HIS 134 4.716 46.428 61.021 1.00 24.01 C ATOM 206 ND1 HIS 134 1.617 45.474 60.610 1.00 24.01 N ATOM 207 CG HIS 134 2.466 45.467 61.694 1.00 24.01 C ATOM 208 CB HIS 134 3.504 46.515 61.962 1.00 24.01 C ATOM 209 NE2 HIS 134 1.112 43.667 61.805 1.00 24.01 N ATOM 210 CD2 HIS 134 2.144 44.358 62.413 1.00 24.01 C ATOM 211 CE1 HIS 134 0.829 44.375 60.726 1.00 24.01 C ATOM 212 C HIS 134 5.672 47.536 61.432 1.00 24.01 C ATOM 213 O HIS 134 5.883 48.474 60.618 1.00 24.01 O ATOM 214 OXT HIS 134 6.205 47.459 62.572 1.00 24.01 O