EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:17:54 REMARK 6 MODELLER OBJECTIVE FUNCTION: 89.2408 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 41.667 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1487.57507 REMARK 6 GA341 score: 0.90010 REMARK 6 Normalized DOPE score: -0.97837 REMARK 6 TEMPLATE: 1llmC01 101:C - 124:C MODELS 1: - 24: AT 41.7% ATOM 1 N GLU 147 -3.883 41.800 54.986 1.00 49.59 N ATOM 2 CA GLU 147 -3.457 43.143 54.526 1.00 49.59 C ATOM 3 CB GLU 147 -4.124 44.249 55.362 1.00 49.59 C ATOM 4 CG GLU 147 -5.648 44.292 55.250 1.00 49.59 C ATOM 5 CD GLU 147 -6.112 45.451 56.119 1.00 49.59 C ATOM 6 OE1 GLU 147 -5.259 46.329 56.421 1.00 49.59 O ATOM 7 OE2 GLU 147 -7.313 45.478 56.495 1.00 49.59 O ATOM 8 C GLU 147 -1.982 43.301 54.686 1.00 49.59 C ATOM 9 O GLU 147 -1.238 42.321 54.678 1.00 49.59 O ATOM 10 N LYS 148 -1.522 44.561 54.818 1.00149.10 N ATOM 11 CA LYS 148 -0.123 44.805 55.013 1.00149.10 C ATOM 12 CB LYS 148 0.431 45.859 54.041 1.00149.10 C ATOM 13 CG LYS 148 -0.068 45.694 52.605 1.00149.10 C ATOM 14 CD LYS 148 0.284 44.366 51.945 1.00149.10 C ATOM 15 CE LYS 148 -0.558 44.104 50.692 1.00149.10 C ATOM 16 NZ LYS 148 -0.584 45.307 49.827 1.00149.10 N ATOM 17 C LYS 148 -0.022 45.440 56.368 1.00149.10 C ATOM 18 O LYS 148 -0.167 46.655 56.496 1.00149.10 O ATOM 19 N PRO 149 0.204 44.665 57.387 1.00 84.44 N ATOM 20 CA PRO 149 0.261 45.201 58.721 1.00 84.44 C ATOM 21 CD PRO 149 -0.215 43.276 57.383 1.00 84.44 C ATOM 22 CB PRO 149 0.052 44.015 59.671 1.00 84.44 C ATOM 23 CG PRO 149 0.177 42.768 58.779 1.00 84.44 C ATOM 24 C PRO 149 1.452 46.037 59.071 1.00 84.44 C ATOM 25 O PRO 149 1.340 46.827 60.006 1.00 84.44 O ATOM 26 N PHE 150 2.598 45.907 58.374 1.00 63.02 N ATOM 27 CA PHE 150 3.735 46.653 58.840 1.00 63.02 C ATOM 28 CB PHE 150 4.962 45.770 59.118 1.00 63.02 C ATOM 29 CG PHE 150 4.601 44.967 60.320 1.00 63.02 C ATOM 30 CD1 PHE 150 3.806 43.850 60.207 1.00 63.02 C ATOM 31 CD2 PHE 150 5.051 45.337 61.565 1.00 63.02 C ATOM 32 CE1 PHE 150 3.468 43.113 61.319 1.00 63.02 C ATOM 33 CE2 PHE 150 4.717 44.605 62.680 1.00 63.02 C ATOM 34 CZ PHE 150 3.923 43.491 62.560 1.00 63.02 C ATOM 35 C PHE 150 4.095 47.715 57.859 1.00 63.02 C ATOM 36 O PHE 150 4.243 47.459 56.665 1.00 63.02 O ATOM 37 N THR 151 4.274 48.953 58.367 1.00106.87 N ATOM 38 CA THR 151 4.505 50.058 57.490 1.00106.87 C ATOM 39 CB THR 151 3.491 51.150 57.650 0.50106.87 C ATOM 40 OG1 THR 151 3.601 51.725 58.945 1.00106.87 O ATOM 41 CG2 THR 151 2.089 50.548 57.462 1.00106.87 C ATOM 42 C THR 151 5.836 50.666 57.778 1.00106.87 C ATOM 43 O THR 151 6.307 50.697 58.916 1.00106.87 O ATOM 44 N CYS 152 6.481 51.167 56.707 1.00 33.55 N ATOM 45 CA CYS 152 7.750 51.815 56.834 1.00 33.55 C ATOM 46 CB CYS 152 8.607 51.728 55.561 1.00 33.55 C ATOM 47 SG CYS 152 10.207 52.566 55.747 1.00 33.55 S ATOM 48 C CYS 152 7.467 53.256 57.107 1.00 33.55 C ATOM 49 O CYS 152 6.624 53.874 56.460 1.00 33.55 O ATOM 50 N THR 153 8.173 53.819 58.104 1.00104.42 N ATOM 51 CA THR 153 7.931 55.169 58.512 1.00104.42 C ATOM 52 CB THR 153 8.696 55.551 59.751 1.00104.42 C ATOM 53 OG1 THR 153 8.256 56.817 60.222 1.00104.42 O ATOM 54 CG2 THR 153 10.200 55.598 59.429 1.00104.42 C ATOM 55 C THR 153 8.293 56.140 57.429 1.00104.42 C ATOM 56 O THR 153 7.584 57.126 57.225 1.00104.42 O ATOM 57 N GLN 154 9.432 55.935 56.733 1.00116.61 N ATOM 58 CA GLN 154 9.776 56.947 55.774 1.00116.61 C ATOM 59 CB GLN 154 11.232 56.856 55.271 1.00116.61 C ATOM 60 CG GLN 154 11.563 55.596 54.467 1.00116.61 C ATOM 61 CD GLN 154 12.950 55.782 53.867 1.00116.61 C ATOM 62 OE1 GLN 154 13.905 56.126 54.562 1.00116.61 O ATOM 63 NE2 GLN 154 13.065 55.561 52.530 1.00116.61 N ATOM 64 C GLN 154 8.881 56.950 54.565 1.00116.61 C ATOM 65 O GLN 154 8.236 57.956 54.273 1.00116.61 O ATOM 66 N CYS 155 8.818 55.811 53.841 1.00 51.15 N ATOM 67 CA CYS 155 8.057 55.713 52.625 1.00 51.15 C ATOM 68 CB CYS 155 8.460 54.499 51.769 1.00 51.15 C ATOM 69 SG CYS 155 8.287 52.911 52.635 1.00 51.15 S ATOM 70 C CYS 155 6.591 55.656 52.908 1.00 51.15 C ATOM 71 O CYS 155 5.789 56.265 52.203 1.00 51.15 O ATOM 72 N GLY 156 6.196 54.924 53.964 1.00 21.46 N ATOM 73 CA GLY 156 4.801 54.808 54.265 1.00 21.46 C ATOM 74 C GLY 156 4.272 53.581 53.584 1.00 21.46 C ATOM 75 O GLY 156 3.069 53.329 53.595 1.00 21.46 O ATOM 76 N LYS 157 5.165 52.782 52.970 1.00181.08 N ATOM 77 CA LYS 157 4.750 51.572 52.320 1.00181.08 C ATOM 78 CB LYS 157 5.875 50.843 51.569 1.00181.08 C ATOM 79 CG LYS 157 6.192 51.386 50.181 1.00181.08 C ATOM 80 CD LYS 157 5.046 51.211 49.187 1.00181.08 C ATOM 81 CE LYS 157 4.718 49.749 48.870 1.00181.08 C ATOM 82 NZ LYS 157 3.812 49.199 49.904 1.00181.08 N ATOM 83 C LYS 157 4.325 50.607 53.375 1.00181.08 C ATOM 84 O LYS 157 4.827 50.638 54.496 1.00181.08 O ATOM 85 N SER 158 3.376 49.716 53.027 1.00 44.15 N ATOM 86 CA SER 158 2.936 48.720 53.961 1.00 44.15 C ATOM 87 CB SER 158 1.405 48.662 54.113 1.00 44.15 C ATOM 88 OG SER 158 0.913 49.877 54.658 1.00 44.15 O ATOM 89 C SER 158 3.383 47.398 53.417 1.00 44.15 C ATOM 90 O SER 158 3.443 47.213 52.204 1.00 44.15 O ATOM 91 N TYR 159 3.732 46.442 54.306 1.00118.85 N ATOM 92 CA TYR 159 4.204 45.167 53.843 1.00118.85 C ATOM 93 CB TYR 159 5.719 44.964 54.051 1.00118.85 C ATOM 94 CG TYR 159 6.394 46.022 53.243 1.00118.85 C ATOM 95 CD1 TYR 159 6.627 47.262 53.788 1.00118.85 C ATOM 96 CD2 TYR 159 6.780 45.793 51.941 1.00118.85 C ATOM 97 CE1 TYR 159 7.238 48.251 53.056 1.00118.85 C ATOM 98 CE2 TYR 159 7.392 46.777 51.200 1.00118.85 C ATOM 99 CZ TYR 159 7.624 48.009 51.760 1.00118.85 C ATOM 100 OH TYR 159 8.249 49.019 51.000 1.00118.85 O ATOM 101 C TYR 159 3.473 44.084 54.573 1.00118.85 C ATOM 102 O TYR 159 3.027 44.259 55.706 1.00118.85 O ATOM 103 N SER 160 3.316 42.927 53.899 1.00 81.23 N ATOM 104 CA SER 160 2.607 41.792 54.415 1.00 81.23 C ATOM 105 CB SER 160 2.399 40.700 53.354 1.00 81.23 C ATOM 106 OG SER 160 1.601 41.199 52.292 1.00 81.23 O ATOM 107 C SER 160 3.370 41.170 55.541 1.00 81.23 C ATOM 108 O SER 160 2.771 40.570 56.434 1.00 81.23 O ATOM 109 N GLN 161 4.716 41.272 55.532 1.00 98.70 N ATOM 110 CA GLN 161 5.427 40.604 56.585 1.00 98.70 C ATOM 111 CB GLN 161 6.133 39.317 56.125 1.00 98.70 C ATOM 112 CG GLN 161 7.260 39.530 55.123 1.00 98.70 C ATOM 113 CD GLN 161 7.610 38.153 54.583 1.00 98.70 C ATOM 114 OE1 GLN 161 6.779 37.498 53.956 1.00 98.70 O ATOM 115 NE2 GLN 161 8.864 37.693 54.837 1.00 98.70 N ATOM 116 C GLN 161 6.438 41.521 57.202 1.00 98.70 C ATOM 117 O GLN 161 7.022 42.379 56.543 1.00 98.70 O ATOM 118 N SER 162 6.661 41.340 58.521 1.00 67.93 N ATOM 119 CA SER 162 7.551 42.157 59.293 1.00 67.93 C ATOM 120 CB SER 162 7.492 41.842 60.800 1.00 67.93 C ATOM 121 OG SER 162 8.396 42.675 61.510 1.00 67.93 O ATOM 122 C SER 162 8.963 41.951 58.838 1.00 67.93 C ATOM 123 O SER 162 9.760 42.888 58.847 1.00 67.93 O ATOM 124 N SER 163 9.323 40.722 58.425 1.00 64.47 N ATOM 125 CA SER 163 10.675 40.475 58.016 1.00 64.47 C ATOM 126 CB SER 163 10.935 39.006 57.644 1.00 64.47 C ATOM 127 OG SER 163 12.287 38.832 57.249 1.00 64.47 O ATOM 128 C SER 163 10.953 41.314 56.811 1.00 64.47 C ATOM 129 O SER 163 12.021 41.914 56.703 1.00 64.47 O ATOM 130 N HIS 164 9.986 41.398 55.879 1.00 60.35 N ATOM 131 CA HIS 164 10.203 42.179 54.700 1.00 60.35 C ATOM 132 ND1 HIS 164 10.264 40.758 51.934 1.00 60.35 N ATOM 133 CG HIS 164 9.152 40.998 52.710 1.00 60.35 C ATOM 134 CB HIS 164 9.063 42.143 53.671 1.00 60.35 C ATOM 135 NE2 HIS 164 8.753 39.225 51.375 1.00 60.35 N ATOM 136 CD2 HIS 164 8.239 40.053 52.356 1.00 60.35 C ATOM 137 CE1 HIS 164 9.971 39.688 51.154 1.00 60.35 C ATOM 138 C HIS 164 10.368 43.609 55.076 1.00 60.35 C ATOM 139 O HIS 164 11.189 44.309 54.489 1.00 60.35 O ATOM 140 N LEU 165 9.589 44.094 56.058 1.00 42.60 N ATOM 141 CA LEU 165 9.698 45.486 56.374 1.00 42.60 C ATOM 142 CB LEU 165 8.712 45.978 57.445 0.50 42.60 C ATOM 143 CG LEU 165 8.892 47.482 57.741 0.50 42.60 C ATOM 144 CD1 LEU 165 8.603 48.331 56.492 0.50 42.60 C ATOM 145 CD2 LEU 165 8.063 47.927 58.955 0.50 42.60 C ATOM 146 C LEU 165 11.077 45.770 56.878 1.00 42.60 C ATOM 147 O LEU 165 11.666 46.797 56.547 1.00 42.60 O ATOM 148 N ASN 166 11.642 44.860 57.693 1.00 65.46 N ATOM 149 CA ASN 166 12.933 45.132 58.259 1.00 65.46 C ATOM 150 CB ASN 166 13.426 44.002 59.183 1.00 65.46 C ATOM 151 CG ASN 166 14.653 44.488 59.947 1.00 65.46 C ATOM 152 OD1 ASN 166 15.532 45.142 59.386 1.00 65.46 O ATOM 153 ND2 ASN 166 14.722 44.162 61.266 1.00 65.46 N ATOM 154 C ASN 166 13.939 45.292 57.159 1.00 65.46 C ATOM 155 O ASN 166 14.691 46.265 57.142 1.00 65.46 O ATOM 156 N GLN 167 13.971 44.347 56.198 1.00 77.23 N ATOM 157 CA GLN 167 14.951 44.416 55.148 1.00 77.23 C ATOM 158 CB GLN 167 14.978 43.188 54.221 1.00 77.23 C ATOM 159 CG GLN 167 15.512 41.933 54.911 1.00 77.23 C ATOM 160 CD GLN 167 16.961 42.190 55.312 1.00 77.23 C ATOM 161 OE1 GLN 167 17.476 41.578 56.247 1.00 77.23 O ATOM 162 NE2 GLN 167 17.644 43.116 54.586 1.00 77.23 N ATOM 163 C GLN 167 14.689 45.619 54.303 1.00 77.23 C ATOM 164 O GLN 167 15.620 46.290 53.864 1.00 77.23 O ATOM 165 N HIS 168 13.404 45.930 54.060 1.00 46.42 N ATOM 166 CA HIS 168 13.072 47.045 53.224 1.00 46.42 C ATOM 167 ND1 HIS 168 11.284 48.707 50.990 1.00 46.42 N ATOM 168 CG HIS 168 11.211 48.520 52.352 1.00 46.42 C ATOM 169 CB HIS 168 11.552 47.247 53.071 1.00 46.42 C ATOM 170 NE2 HIS 168 10.634 50.647 51.864 1.00 46.42 N ATOM 171 CD2 HIS 168 10.810 49.715 52.869 1.00 46.42 C ATOM 172 CE1 HIS 168 10.932 49.997 50.753 1.00 46.42 C ATOM 173 C HIS 168 13.629 48.290 53.827 1.00 46.42 C ATOM 174 O HIS 168 14.199 49.125 53.127 1.00 46.42 O ATOM 175 N MET 169 13.494 48.439 55.153 1.00 96.39 N ATOM 176 CA MET 169 13.937 49.641 55.789 1.00 96.39 C ATOM 177 CB MET 169 13.675 49.607 57.302 1.00 96.39 C ATOM 178 CG MET 169 13.782 50.971 57.979 1.00 96.39 C ATOM 179 SD MET 169 13.278 50.965 59.723 1.00 96.39 S ATOM 180 CE MET 169 13.309 52.772 59.888 1.00 96.39 C ATOM 181 C MET 169 15.408 49.787 55.569 1.00 96.39 C ATOM 182 O MET 169 15.882 50.863 55.208 1.00 96.39 O ATOM 183 N MET 170 16.174 48.696 55.758 1.00 69.70 N ATOM 184 CA MET 170 17.590 48.787 55.563 1.00 69.70 C ATOM 185 CB MET 170 18.386 47.787 56.414 1.00 69.70 C ATOM 186 CG MET 170 18.314 48.075 57.915 1.00 69.70 C ATOM 187 SD MET 170 19.073 49.652 58.412 1.00 69.70 S ATOM 188 CE MET 170 18.908 49.388 60.203 1.00 69.70 C ATOM 189 C MET 170 17.877 48.474 54.101 1.00 69.70 C ATOM 190 O MET 170 17.379 49.228 53.225 1.00 69.70 O ATOM 191 OXT MET 170 18.604 47.477 53.842 1.00 69.70 O