EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:59:30 REMARK 6 MODELLER OBJECTIVE FUNCTION: 105.9780 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.167 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1561.85437 REMARK 6 GA341 score: 0.99999 REMARK 6 Normalized DOPE score: -1.77592 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 54.2% ATOM 1 N GLU 137 -13.106 20.068 40.671 1.00 56.80 N ATOM 2 CA GLU 137 -14.244 20.268 41.596 1.00 56.80 C ATOM 3 CB GLU 137 -15.132 19.012 41.641 1.00 56.80 C ATOM 4 CG GLU 137 -16.398 19.182 42.487 1.00 56.80 C ATOM 5 CD GLU 137 -17.413 19.974 41.674 1.00 56.80 C ATOM 6 OE1 GLU 137 -17.010 20.563 40.636 1.00 56.80 O ATOM 7 OE2 GLU 137 -18.606 19.999 42.080 1.00 56.80 O ATOM 8 C GLU 137 -13.757 20.555 42.975 1.00 56.80 C ATOM 9 O GLU 137 -12.714 20.057 43.399 1.00 56.80 O ATOM 10 N LYS 138 -14.505 21.401 43.706 1.00 64.85 N ATOM 11 CA LYS 138 -14.114 21.747 45.040 1.00 64.85 C ATOM 12 CB LYS 138 -13.966 23.266 45.209 1.00 64.85 C ATOM 13 CG LYS 138 -12.980 23.897 44.220 1.00 64.85 C ATOM 14 CD LYS 138 -13.164 25.406 44.062 1.00 64.85 C ATOM 15 CE LYS 138 -12.339 26.002 42.922 1.00 64.85 C ATOM 16 NZ LYS 138 -12.836 27.351 42.578 1.00 64.85 N ATOM 17 C LYS 138 -15.250 21.330 45.920 1.00 64.85 C ATOM 18 O LYS 138 -16.190 22.084 46.162 1.00 64.85 O ATOM 19 N PRO 139 -15.168 20.130 46.401 1.00106.68 N ATOM 20 CA PRO 139 -16.235 19.612 47.213 1.00106.68 C ATOM 21 CD PRO 139 -14.536 19.088 45.609 1.00106.68 C ATOM 22 CB PRO 139 -16.059 18.097 47.219 1.00106.68 C ATOM 23 CG PRO 139 -15.343 17.811 45.887 1.00106.68 C ATOM 24 C PRO 139 -16.369 20.197 48.583 1.00106.68 C ATOM 25 O PRO 139 -17.442 20.056 49.168 1.00106.68 O ATOM 26 N TYR 140 -15.334 20.853 49.136 1.00 56.47 N ATOM 27 CA TYR 140 -15.504 21.279 50.494 1.00 56.47 C ATOM 28 CB TYR 140 -14.330 20.877 51.401 1.00 56.47 C ATOM 29 CG TYR 140 -14.329 19.387 51.435 1.00 56.47 C ATOM 30 CD1 TYR 140 -15.166 18.702 52.286 1.00 56.47 C ATOM 31 CD2 TYR 140 -13.490 18.673 50.611 1.00 56.47 C ATOM 32 CE1 TYR 140 -15.167 17.326 52.313 1.00 56.47 C ATOM 33 CE2 TYR 140 -13.486 17.298 50.635 1.00 56.47 C ATOM 34 CZ TYR 140 -14.327 16.621 51.485 1.00 56.47 C ATOM 35 OH TYR 140 -14.327 15.210 51.511 1.00 56.47 O ATOM 36 C TYR 140 -15.646 22.762 50.534 1.00 56.47 C ATOM 37 O TYR 140 -14.759 23.497 50.105 1.00 56.47 O ATOM 38 N THR 141 -16.788 23.234 51.073 1.00 98.60 N ATOM 39 CA THR 141 -17.034 24.643 51.117 1.00 98.60 C ATOM 40 CB THR 141 -18.345 25.042 50.507 1.00 98.60 C ATOM 41 OG1 THR 141 -18.429 26.456 50.416 1.00 98.60 O ATOM 42 CG2 THR 141 -19.487 24.497 51.382 1.00 98.60 C ATOM 43 C THR 141 -17.046 25.085 52.542 1.00 98.60 C ATOM 44 O THR 141 -17.540 24.384 53.424 1.00 98.60 O ATOM 45 N CYS 142 -16.451 26.269 52.789 1.00 43.13 N ATOM 46 CA CYS 142 -16.389 26.852 54.098 1.00 43.13 C ATOM 47 CB CYS 142 -15.305 27.944 54.201 1.00 43.13 C ATOM 48 SG CYS 142 -15.195 28.700 55.851 1.00 43.13 S ATOM 49 C CYS 142 -17.716 27.481 54.373 1.00 43.13 C ATOM 50 O CYS 142 -18.204 28.285 53.581 1.00 43.13 O ATOM 51 N THR 143 -18.345 27.142 55.516 1.00125.97 N ATOM 52 CA THR 143 -19.634 27.715 55.763 1.00125.97 C ATOM 53 CB THR 143 -20.438 27.041 56.855 1.00125.97 C ATOM 54 OG1 THR 143 -19.784 27.069 58.114 1.00125.97 O ATOM 55 CG2 THR 143 -20.675 25.584 56.430 1.00125.97 C ATOM 56 C THR 143 -19.516 29.197 55.980 1.00125.97 C ATOM 57 O THR 143 -20.425 29.924 55.578 1.00125.97 O ATOM 58 N PRO 144 -18.493 29.710 56.619 1.00121.42 N ATOM 59 CA PRO 144 -18.432 31.135 56.782 1.00121.42 C ATOM 60 CD PRO 144 -17.758 29.013 57.663 1.00121.42 C ATOM 61 CB PRO 144 -17.326 31.397 57.799 1.00121.42 C ATOM 62 CG PRO 144 -17.287 30.107 58.635 1.00121.42 C ATOM 63 C PRO 144 -18.313 31.971 55.539 1.00121.42 C ATOM 64 O PRO 144 -19.223 32.751 55.263 1.00121.42 O ATOM 65 N CYS 145 -17.177 31.843 54.815 1.00 62.28 N ATOM 66 CA CYS 145 -16.848 32.593 53.627 1.00 62.28 C ATOM 67 CB CYS 145 -15.337 32.580 53.334 1.00 62.28 C ATOM 68 SG CYS 145 -14.648 30.903 53.216 1.00 62.28 S ATOM 69 C CYS 145 -17.568 32.111 52.402 1.00 62.28 C ATOM 70 O CYS 145 -18.014 32.915 51.585 1.00 62.28 O ATOM 71 N GLY 146 -17.700 30.780 52.236 1.00 27.72 N ATOM 72 CA GLY 146 -18.323 30.238 51.062 1.00 27.72 C ATOM 73 C GLY 146 -17.256 29.816 50.093 1.00 27.72 C ATOM 74 O GLY 146 -17.565 29.331 49.005 1.00 27.72 O ATOM 75 N LYS 147 -15.967 29.990 50.454 1.00 89.98 N ATOM 76 CA LYS 147 -14.921 29.588 49.555 1.00 89.98 C ATOM 77 CB LYS 147 -13.539 30.166 49.890 1.00 89.98 C ATOM 78 CG LYS 147 -12.451 29.731 48.905 1.00 89.98 C ATOM 79 CD LYS 147 -11.200 30.601 49.002 1.00 89.98 C ATOM 80 CE LYS 147 -11.181 31.724 47.973 1.00 89.98 C ATOM 81 NZ LYS 147 -10.706 32.969 48.611 1.00 89.98 N ATOM 82 C LYS 147 -14.820 28.092 49.581 1.00 89.98 C ATOM 83 O LYS 147 -15.015 27.453 50.615 1.00 89.98 O ATOM 84 N SER 148 -14.501 27.495 48.415 1.00 99.81 N ATOM 85 CA SER 148 -14.473 26.065 48.314 1.00 99.81 C ATOM 86 CB SER 148 -15.436 25.523 47.247 1.00 99.81 C ATOM 87 OG SER 148 -15.134 26.092 45.983 1.00 99.81 O ATOM 88 C SER 148 -13.079 25.607 48.002 1.00 99.81 C ATOM 89 O SER 148 -12.280 26.333 47.409 1.00 99.81 O ATOM 90 N PHE 149 -12.750 24.363 48.420 1.00159.76 N ATOM 91 CA PHE 149 -11.414 23.860 48.249 1.00159.76 C ATOM 92 CB PHE 149 -10.602 23.888 49.558 1.00159.76 C ATOM 93 CG PHE 149 -10.302 25.309 49.906 1.00159.76 C ATOM 94 CD1 PHE 149 -11.184 26.062 50.651 1.00159.76 C ATOM 95 CD2 PHE 149 -9.132 25.898 49.486 1.00159.76 C ATOM 96 CE1 PHE 149 -10.906 27.374 50.963 1.00159.76 C ATOM 97 CE2 PHE 149 -8.852 27.208 49.796 1.00159.76 C ATOM 98 CZ PHE 149 -9.734 27.953 50.539 1.00159.76 C ATOM 99 C PHE 149 -11.469 22.435 47.771 1.00159.76 C ATOM 100 O PHE 149 -12.465 21.738 47.955 1.00159.76 O ATOM 101 N SER 150 -10.394 21.993 47.085 1.00 84.18 N ATOM 102 CA SER 150 -10.295 20.655 46.573 1.00 84.18 C ATOM 103 CB SER 150 -9.146 20.479 45.560 1.00 84.18 C ATOM 104 OG SER 150 -9.412 21.241 44.393 1.00 84.18 O ATOM 105 C SER 150 -10.051 19.689 47.695 1.00 84.18 C ATOM 106 O SER 150 -10.466 18.531 47.622 1.00 84.18 O ATOM 107 N HIS 151 -9.374 20.139 48.774 1.00 79.54 N ATOM 108 CA HIS 151 -8.989 19.219 49.813 1.00 79.54 C ATOM 109 ND1 HIS 151 -6.136 19.521 47.952 1.00 79.54 N ATOM 110 CG HIS 151 -6.583 18.738 48.994 1.00 79.54 C ATOM 111 CB HIS 151 -7.476 19.224 50.101 1.00 79.54 C ATOM 112 NE2 HIS 151 -5.233 17.510 47.669 1.00 79.54 N ATOM 113 CD2 HIS 151 -6.023 17.513 48.807 1.00 79.54 C ATOM 114 CE1 HIS 151 -5.332 18.735 47.191 1.00 79.54 C ATOM 115 C HIS 151 -9.618 19.604 51.115 1.00 79.54 C ATOM 116 O HIS 151 -9.742 20.785 51.439 1.00 79.54 O ATOM 117 N SER 152 -10.010 18.577 51.903 1.00 68.67 N ATOM 118 CA SER 152 -10.623 18.746 53.190 1.00 68.67 C ATOM 119 CB SER 152 -11.096 17.419 53.808 1.00 68.67 C ATOM 120 OG SER 152 -9.983 16.582 54.089 1.00 68.67 O ATOM 121 C SER 152 -9.619 19.334 54.128 1.00 68.67 C ATOM 122 O SER 152 -9.953 20.184 54.951 1.00 68.67 O ATOM 123 N SER 153 -8.352 18.894 54.018 1.00 67.98 N ATOM 124 CA SER 153 -7.312 19.342 54.901 1.00 67.98 C ATOM 125 CB SER 153 -5.954 18.683 54.589 1.00 67.98 C ATOM 126 OG SER 153 -6.014 17.289 54.852 1.00 67.98 O ATOM 127 C SER 153 -7.138 20.819 54.737 1.00 67.98 C ATOM 128 O SER 153 -7.013 21.549 55.720 1.00 67.98 O ATOM 129 N THR 154 -7.137 21.301 53.480 1.00 27.91 N ATOM 130 CA THR 154 -6.912 22.695 53.222 1.00 27.91 C ATOM 131 CB THR 154 -6.839 23.023 51.763 1.00 27.91 C ATOM 132 OG1 THR 154 -5.803 22.278 51.140 1.00 27.91 O ATOM 133 CG2 THR 154 -6.553 24.529 51.637 1.00 27.91 C ATOM 134 C THR 154 -8.032 23.497 53.802 1.00 27.91 C ATOM 135 O THR 154 -7.815 24.559 54.383 1.00 27.91 O ATOM 136 N LEU 155 -9.273 23.007 53.654 1.00108.52 N ATOM 137 CA LEU 155 -10.399 23.741 54.141 1.00108.52 C ATOM 138 CB LEU 155 -11.726 23.069 53.751 1.00108.52 C ATOM 139 CG LEU 155 -12.979 23.918 54.033 1.00108.52 C ATOM 140 CD1 LEU 155 -13.221 24.108 55.533 1.00108.52 C ATOM 141 CD2 LEU 155 -12.923 25.256 53.283 1.00108.52 C ATOM 142 C LEU 155 -10.293 23.838 55.638 1.00108.52 C ATOM 143 O LEU 155 -10.569 24.887 56.219 1.00108.52 O ATOM 144 N ASN 156 -9.861 22.749 56.307 1.00 70.73 N ATOM 145 CA ASN 156 -9.800 22.749 57.744 1.00 70.73 C ATOM 146 CB ASN 156 -9.298 21.419 58.339 1.00 70.73 C ATOM 147 CG ASN 156 -9.450 21.505 59.854 1.00 70.73 C ATOM 148 OD1 ASN 156 -9.993 22.475 60.382 1.00 70.73 O ATOM 149 ND2 ASN 156 -8.951 20.466 60.575 1.00 70.73 N ATOM 150 C ASN 156 -8.868 23.823 58.208 1.00 70.73 C ATOM 151 O ASN 156 -9.176 24.558 59.145 1.00 70.73 O ATOM 152 N GLN 157 -7.697 23.953 57.564 1.00 66.64 N ATOM 153 CA GLN 157 -6.766 24.951 57.997 1.00 66.64 C ATOM 154 CB GLN 157 -5.426 24.896 57.246 1.00 66.64 C ATOM 155 CG GLN 157 -4.646 23.606 57.513 1.00 66.64 C ATOM 156 CD GLN 157 -3.340 23.663 56.732 1.00 66.64 C ATOM 157 OE1 GLN 157 -3.079 24.620 56.004 1.00 66.64 O ATOM 158 NE2 GLN 157 -2.493 22.609 56.882 1.00 66.64 N ATOM 159 C GLN 157 -7.389 26.289 57.762 1.00 66.64 C ATOM 160 O GLN 157 -7.247 27.213 58.563 1.00 66.64 O ATOM 161 N HIS 158 -8.124 26.404 56.643 1.00 51.63 N ATOM 162 CA HIS 158 -8.759 27.624 56.242 1.00 51.63 C ATOM 163 ND1 HIS 158 -9.460 29.639 53.674 1.00 51.63 N ATOM 164 CG HIS 158 -10.150 28.673 54.370 1.00 51.63 C ATOM 165 CB HIS 158 -9.532 27.427 54.924 1.00 51.63 C ATOM 166 NE2 HIS 158 -11.583 30.298 53.742 1.00 51.63 N ATOM 167 CD2 HIS 158 -11.444 29.092 54.404 1.00 51.63 C ATOM 168 CE1 HIS 158 -10.365 30.588 53.321 1.00 51.63 C ATOM 169 C HIS 158 -9.726 28.032 57.313 1.00 51.63 C ATOM 170 O HIS 158 -9.775 29.199 57.700 1.00 51.63 O ATOM 171 N MET 159 -10.510 27.071 57.837 1.00 55.14 N ATOM 172 CA MET 159 -11.486 27.377 58.845 1.00 55.14 C ATOM 173 CB MET 159 -12.307 26.151 59.283 1.00 55.14 C ATOM 174 CG MET 159 -13.317 25.642 58.250 1.00 55.14 C ATOM 175 SD MET 159 -14.266 24.192 58.808 1.00 55.14 S ATOM 176 CE MET 159 -15.458 24.201 57.439 1.00 55.14 C ATOM 177 C MET 159 -10.797 27.887 60.072 1.00 55.14 C ATOM 178 O MET 159 -11.244 28.857 60.681 1.00 55.14 O ATOM 179 N LYS 160 -9.678 27.249 60.464 1.00 66.22 N ATOM 180 CA LYS 160 -9.012 27.661 61.666 1.00 66.22 C ATOM 181 CB LYS 160 -7.717 26.881 61.958 1.00 66.22 C ATOM 182 CG LYS 160 -7.959 25.412 62.314 1.00 66.22 C ATOM 183 CD LYS 160 -6.687 24.561 62.334 1.00 66.22 C ATOM 184 CE LYS 160 -5.782 24.847 63.533 1.00 66.22 C ATOM 185 NZ LYS 160 -6.377 24.278 64.762 1.00 66.22 N ATOM 186 C LYS 160 -8.658 29.138 61.560 1.00 66.22 C ATOM 187 O LYS 160 -7.811 29.493 60.697 1.00 66.22 O ATOM 188 OXT LYS 160 -9.226 29.933 62.355 1.00 66.22 O