EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:43 REMARK 6 MODELLER OBJECTIVE FUNCTION: 100.5849 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 57.143 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1013.31439 REMARK 6 GA341 score: 0.91811 REMARK 6 Normalized DOPE score: -0.21368 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 57.1% ATOM 1 N GLU 147 -20.236 34.738 55.791 1.00 37.59 N ATOM 2 CA GLU 147 -19.352 35.224 56.879 1.00 37.59 C ATOM 3 CB GLU 147 -19.942 34.854 58.250 1.00 37.59 C ATOM 4 CG GLU 147 -19.096 35.327 59.432 1.00 37.59 C ATOM 5 CD GLU 147 -19.765 34.839 60.709 1.00 37.59 C ATOM 6 OE1 GLU 147 -20.977 35.133 60.901 1.00 37.59 O ATOM 7 OE2 GLU 147 -19.073 34.152 61.505 1.00 37.59 O ATOM 8 C GLU 147 -18.004 34.592 56.792 1.00 37.59 C ATOM 9 O GLU 147 -17.807 33.465 57.241 1.00 37.59 O ATOM 10 N LYS 148 -17.030 35.302 56.187 1.00 84.54 N ATOM 11 CA LYS 148 -15.706 34.760 56.112 1.00 84.54 C ATOM 12 CB LYS 148 -15.333 34.376 54.670 1.00 84.54 C ATOM 13 CG LYS 148 -16.156 33.187 54.160 1.00 84.54 C ATOM 14 CD LYS 148 -16.236 33.080 52.637 1.00 84.54 C ATOM 15 CE LYS 148 -17.370 33.922 52.042 1.00 84.54 C ATOM 16 NZ LYS 148 -17.519 33.635 50.596 1.00 84.54 N ATOM 17 C LYS 148 -14.773 35.828 56.591 1.00 84.54 C ATOM 18 O LYS 148 -14.225 36.607 55.813 1.00 84.54 O ATOM 19 N PRO 149 -14.613 35.868 57.885 1.00118.92 N ATOM 20 CA PRO 149 -13.792 36.853 58.537 1.00118.92 C ATOM 21 CD PRO 149 -15.619 35.317 58.775 1.00118.92 C ATOM 22 CB PRO 149 -14.244 36.875 60.000 1.00118.92 C ATOM 23 CG PRO 149 -15.068 35.589 60.181 1.00118.92 C ATOM 24 C PRO 149 -12.307 36.722 58.399 1.00118.92 C ATOM 25 O PRO 149 -11.623 37.725 58.597 1.00118.92 O ATOM 26 N PHE 150 -11.759 35.534 58.079 1.00 58.41 N ATOM 27 CA PHE 150 -10.324 35.467 58.114 1.00 58.41 C ATOM 28 CB PHE 150 -9.797 34.241 58.878 1.00 58.41 C ATOM 29 CG PHE 150 -10.345 34.347 60.261 1.00 58.41 C ATOM 30 CD1 PHE 150 -9.829 35.245 61.169 1.00 58.41 C ATOM 31 CD2 PHE 150 -11.384 33.536 60.657 1.00 58.41 C ATOM 32 CE1 PHE 150 -10.342 35.336 62.444 1.00 58.41 C ATOM 33 CE2 PHE 150 -11.900 33.621 61.928 1.00 58.41 C ATOM 34 CZ PHE 150 -11.382 34.526 62.825 1.00 58.41 C ATOM 35 C PHE 150 -9.789 35.416 56.720 1.00 58.41 C ATOM 36 O PHE 150 -10.265 34.649 55.886 1.00 58.41 O ATOM 37 N THR 151 -8.761 36.237 56.428 1.00103.25 N ATOM 38 CA THR 151 -8.247 36.243 55.087 1.00103.25 C ATOM 39 CB THR 151 -8.349 37.575 54.395 1.00103.25 C ATOM 40 OG1 THR 151 -8.056 37.426 53.013 1.00103.25 O ATOM 41 CG2 THR 151 -7.346 38.546 55.041 1.00103.25 C ATOM 42 C THR 151 -6.800 35.860 55.096 1.00103.25 C ATOM 43 O THR 151 -6.066 36.139 56.042 1.00103.25 O ATOM 44 N CYS 152 -6.373 35.171 54.016 1.00 44.03 N ATOM 45 CA CYS 152 -5.006 34.765 53.849 1.00 44.03 C ATOM 46 CB CYS 152 -4.822 33.702 52.748 1.00 44.03 C ATOM 47 SG CYS 152 -3.091 33.192 52.528 1.00 44.03 S ATOM 48 C CYS 152 -4.211 35.971 53.462 1.00 44.03 C ATOM 49 O CYS 152 -4.616 36.748 52.599 1.00 44.03 O ATOM 50 N THR 153 -3.042 36.161 54.103 1.00106.36 N ATOM 51 CA THR 153 -2.251 37.319 53.808 1.00106.36 C ATOM 52 CB THR 153 -1.090 37.495 54.743 1.00106.36 C ATOM 53 OG1 THR 153 -0.449 38.735 54.485 1.00106.36 O ATOM 54 CG2 THR 153 -0.102 36.334 54.553 1.00106.36 C ATOM 55 C THR 153 -1.725 37.259 52.406 1.00106.36 C ATOM 56 O THR 153 -1.728 38.266 51.698 1.00106.36 O ATOM 57 N GLN 154 -1.220 36.089 51.970 1.00102.93 N ATOM 58 CA GLN 154 -0.635 36.044 50.658 1.00102.93 C ATOM 59 CB GLN 154 0.167 34.751 50.421 1.00102.93 C ATOM 60 CG GLN 154 1.429 34.646 51.281 1.00102.93 C ATOM 61 CD GLN 154 2.076 33.294 51.018 1.00102.93 C ATOM 62 OE1 GLN 154 1.438 32.375 50.503 1.00102.93 O ATOM 63 NE2 GLN 154 3.379 33.160 51.383 1.00102.93 N ATOM 64 C GLN 154 -1.654 36.144 49.560 1.00102.93 C ATOM 65 O GLN 154 -1.557 37.022 48.702 1.00102.93 O ATOM 66 N CYS 155 -2.646 35.227 49.571 1.00 95.36 N ATOM 67 CA CYS 155 -3.649 35.106 48.543 1.00 95.36 C ATOM 68 CB CYS 155 -4.386 33.757 48.617 1.00 95.36 C ATOM 69 SG CYS 155 -5.654 33.592 47.330 1.00 95.36 S ATOM 70 C CYS 155 -4.696 36.182 48.603 1.00 95.36 C ATOM 71 O CYS 155 -5.063 36.763 47.581 1.00 95.36 O ATOM 72 N GLY 156 -5.210 36.481 49.811 1.00 26.31 N ATOM 73 CA GLY 156 -6.267 37.443 49.950 1.00 26.31 C ATOM 74 C GLY 156 -7.590 36.723 50.006 1.00 26.31 C ATOM 75 O GLY 156 -8.642 37.351 50.123 1.00 26.31 O ATOM 76 N LYS 157 -7.572 35.377 49.924 1.00138.41 N ATOM 77 CA LYS 157 -8.785 34.602 49.950 1.00138.41 C ATOM 78 CB LYS 157 -8.551 33.169 49.438 1.00138.41 C ATOM 79 CG LYS 157 -9.808 32.395 49.033 1.00138.41 C ATOM 80 CD LYS 157 -10.762 32.082 50.181 1.00138.41 C ATOM 81 CE LYS 157 -11.886 31.120 49.786 1.00138.41 C ATOM 82 NZ LYS 157 -12.897 31.822 48.966 1.00138.41 N ATOM 83 C LYS 157 -9.285 34.558 51.368 1.00138.41 C ATOM 84 O LYS 157 -8.492 34.520 52.309 1.00138.41 O ATOM 85 N SER 158 -10.627 34.562 51.561 1.00 60.49 N ATOM 86 CA SER 158 -11.174 34.596 52.896 1.00 60.49 C ATOM 87 CB SER 158 -12.201 35.718 53.122 1.00 60.49 C ATOM 88 OG SER 158 -11.555 36.982 53.128 1.00 60.49 O ATOM 89 C SER 158 -11.855 33.300 53.226 1.00 60.49 C ATOM 90 O SER 158 -12.368 32.606 52.351 1.00 60.49 O ATOM 91 N PHE 159 -11.882 32.949 54.533 1.00139.39 N ATOM 92 CA PHE 159 -12.445 31.696 54.963 1.00139.39 C ATOM 93 CB PHE 159 -11.375 30.690 55.431 1.00139.39 C ATOM 94 CG PHE 159 -10.556 30.338 54.237 1.00139.39 C ATOM 95 CD1 PHE 159 -9.460 31.097 53.890 1.00139.39 C ATOM 96 CD2 PHE 159 -10.885 29.255 53.453 1.00139.39 C ATOM 97 CE1 PHE 159 -8.702 30.782 52.787 1.00139.39 C ATOM 98 CE2 PHE 159 -10.131 28.935 52.348 1.00139.39 C ATOM 99 CZ PHE 159 -9.040 29.698 52.012 1.00139.39 C ATOM 100 C PHE 159 -13.371 31.911 56.123 1.00139.39 C ATOM 101 O PHE 159 -13.279 32.898 56.850 1.00139.39 O ATOM 102 N SER 160 -14.303 30.951 56.302 1.00 82.20 N ATOM 103 CA SER 160 -15.287 30.970 57.343 1.00 82.20 C ATOM 104 CB SER 160 -16.284 29.806 57.230 1.00 82.20 C ATOM 105 OG SER 160 -16.981 29.888 55.997 1.00 82.20 O ATOM 106 C SER 160 -14.618 30.824 58.675 1.00 82.20 C ATOM 107 O SER 160 -15.018 31.469 59.644 1.00 82.20 O ATOM 108 N GLN 161 -13.583 29.967 58.781 1.00 57.79 N ATOM 109 CA GLN 161 -13.004 29.816 60.085 1.00 57.79 C ATOM 110 CB GLN 161 -13.440 28.537 60.816 1.00 57.79 C ATOM 111 CG GLN 161 -14.926 28.551 61.183 1.00 57.79 C ATOM 112 CD GLN 161 -15.226 27.300 61.992 1.00 57.79 C ATOM 113 OE1 GLN 161 -15.973 27.340 62.969 1.00 57.79 O ATOM 114 NE2 GLN 161 -14.627 26.153 61.576 1.00 57.79 N ATOM 115 C GLN 161 -11.511 29.841 60.003 1.00 57.79 C ATOM 116 O GLN 161 -10.914 29.568 58.963 1.00 57.79 O ATOM 117 N SER 162 -10.882 30.185 61.146 1.00 69.70 N ATOM 118 CA SER 162 -9.460 30.344 61.262 1.00 69.70 C ATOM 119 CB SER 162 -9.030 30.833 62.655 1.00 69.70 C ATOM 120 OG SER 162 -9.321 29.840 63.629 1.00 69.70 O ATOM 121 C SER 162 -8.785 29.034 61.026 1.00 69.70 C ATOM 122 O SER 162 -7.735 28.975 60.387 1.00 69.70 O ATOM 123 N SER 163 -9.382 27.941 61.527 1.00 62.17 N ATOM 124 CA SER 163 -8.741 26.665 61.396 1.00 62.17 C ATOM 125 CB SER 163 -9.549 25.535 62.062 1.00 62.17 C ATOM 126 OG SER 163 -8.877 24.295 61.905 1.00 62.17 O ATOM 127 C SER 163 -8.620 26.345 59.938 1.00 62.17 C ATOM 128 O SER 163 -7.593 25.837 59.489 1.00 62.17 O ATOM 129 N SER 164 -9.677 26.648 59.162 1.00 28.90 N ATOM 130 CA SER 164 -9.697 26.326 57.765 1.00 28.90 C ATOM 131 CB SER 164 -11.039 26.680 57.103 1.00 28.90 C ATOM 132 OG SER 164 -12.083 25.903 57.670 1.00 28.90 O ATOM 133 C SER 164 -8.644 27.114 57.057 1.00 28.90 C ATOM 134 O SER 164 -7.970 26.602 56.165 1.00 28.90 O ATOM 135 N LEU 165 -8.471 28.388 57.444 1.00 98.00 N ATOM 136 CA LEU 165 -7.541 29.229 56.750 1.00 98.00 C ATOM 137 CB LEU 165 -7.552 30.671 57.298 1.00 98.00 C ATOM 138 CG LEU 165 -6.849 31.737 56.429 1.00 98.00 C ATOM 139 CD1 LEU 165 -6.936 33.116 57.092 1.00 98.00 C ATOM 140 CD2 LEU 165 -5.413 31.357 56.048 1.00 98.00 C ATOM 141 C LEU 165 -6.166 28.660 56.936 1.00 98.00 C ATOM 142 O LEU 165 -5.378 28.592 55.994 1.00 98.00 O ATOM 143 N ASN 166 -5.841 28.208 58.158 1.00 36.85 N ATOM 144 CA ASN 166 -4.518 27.715 58.397 1.00 36.85 C ATOM 145 CB ASN 166 -4.258 27.351 59.866 1.00 36.85 C ATOM 146 CG ASN 166 -4.132 28.676 60.618 1.00 36.85 C ATOM 147 OD1 ASN 166 -3.461 29.599 60.157 1.00 36.85 O ATOM 148 ND2 ASN 166 -4.788 28.780 61.805 1.00 36.85 N ATOM 149 C ASN 166 -4.278 26.522 57.532 1.00 36.85 C ATOM 150 O ASN 166 -3.178 26.341 57.013 1.00 36.85 O ATOM 151 N LEU 167 -5.312 25.685 57.327 1.00 33.61 N ATOM 152 CA LEU 167 -5.118 24.514 56.523 1.00 33.61 C ATOM 153 CB LEU 167 -4.569 24.797 55.114 1.00 33.61 C ATOM 154 CG LEU 167 -5.517 25.589 54.200 1.00 33.61 C ATOM 155 CD1 LEU 167 -4.886 25.793 52.814 1.00 33.61 C ATOM 156 CD2 LEU 167 -6.901 24.927 54.132 1.00 33.61 C ATOM 157 C LEU 167 -4.071 23.677 57.235 1.00 33.61 C ATOM 158 O LEU 167 -4.274 23.367 58.436 1.00 33.61 O ATOM 159 OXT LEU 167 -3.046 23.340 56.582 1.00 33.61 O