EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:24 REMARK 6 MODELLER OBJECTIVE FUNCTION: 82.2731 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 58.333 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1373.38599 REMARK 6 GA341 score: 0.88302 REMARK 6 Normalized DOPE score: -0.57932 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 58.3% ATOM 1 N GLU 203 -22.899 42.659 46.151 1.00 57.61 N ATOM 2 CA GLU 203 -22.406 42.801 47.536 1.00 57.61 C ATOM 3 CB GLU 203 -23.550 42.556 48.535 1.00 57.61 C ATOM 4 CG GLU 203 -24.150 41.148 48.472 1.00 57.61 C ATOM 5 CD GLU 203 -25.308 41.106 49.461 1.00 57.61 C ATOM 6 OE1 GLU 203 -26.399 41.627 49.108 1.00 57.61 O ATOM 7 OE2 GLU 203 -25.118 40.568 50.586 1.00 57.61 O ATOM 8 C GLU 203 -21.312 41.826 47.803 1.00 57.61 C ATOM 9 O GLU 203 -20.928 41.049 46.929 1.00 57.61 O ATOM 10 N LYS 204 -20.741 41.877 49.019 1.00 56.79 N ATOM 11 CA LYS 204 -19.714 40.935 49.346 1.00 56.79 C ATOM 12 CB LYS 204 -18.397 41.601 49.776 1.00 56.79 C ATOM 13 CG LYS 204 -17.759 42.394 48.632 1.00 56.79 C ATOM 14 CD LYS 204 -16.541 43.236 49.017 1.00 56.79 C ATOM 15 CE LYS 204 -15.862 43.893 47.812 1.00 56.79 C ATOM 16 NZ LYS 204 -14.577 44.503 48.215 1.00 56.79 N ATOM 17 C LYS 204 -20.245 40.110 50.472 1.00 56.79 C ATOM 18 O LYS 204 -20.190 40.471 51.645 1.00 56.79 O ATOM 19 N PRO 205 -20.790 38.998 50.071 1.00104.36 N ATOM 20 CA PRO 205 -21.425 38.106 51.002 1.00104.36 C ATOM 21 CD PRO 205 -21.402 38.935 48.751 1.00104.36 C ATOM 22 CB PRO 205 -22.298 37.177 50.166 1.00104.36 C ATOM 23 CG PRO 205 -22.610 38.000 48.905 1.00104.36 C ATOM 24 C PRO 205 -20.528 37.356 51.932 1.00104.36 C ATOM 25 O PRO 205 -21.033 36.864 52.940 1.00104.36 O ATOM 26 N PHE 206 -19.219 37.225 51.643 1.00 68.54 N ATOM 27 CA PHE 206 -18.444 36.373 52.502 1.00 68.54 C ATOM 28 CB PHE 206 -17.583 35.367 51.714 1.00 68.54 C ATOM 29 CG PHE 206 -18.587 34.556 50.967 1.00 68.54 C ATOM 30 CD1 PHE 206 -19.420 33.703 51.648 1.00 68.54 C ATOM 31 CD2 PHE 206 -18.699 34.634 49.598 1.00 68.54 C ATOM 32 CE1 PHE 206 -20.362 32.952 50.986 1.00 68.54 C ATOM 33 CE2 PHE 206 -19.637 33.886 48.928 1.00 68.54 C ATOM 34 CZ PHE 206 -20.474 33.043 49.619 1.00 68.54 C ATOM 35 C PHE 206 -17.581 37.201 53.401 1.00 68.54 C ATOM 36 O PHE 206 -16.785 38.017 52.941 1.00 68.54 O ATOM 37 N THR 207 -17.704 36.979 54.728 1.00107.60 N ATOM 38 CA THR 207 -16.986 37.799 55.661 1.00107.60 C ATOM 39 CB THR 207 -17.896 38.508 56.619 1.00107.60 C ATOM 40 OG1 THR 207 -18.646 37.577 57.384 1.00107.60 O ATOM 41 CG2 THR 207 -18.853 39.376 55.789 1.00107.60 C ATOM 42 C THR 207 -16.017 36.975 56.452 1.00107.60 C ATOM 43 O THR 207 -16.272 35.818 56.783 1.00107.60 O ATOM 44 N CYS 208 -14.848 37.584 56.751 1.00 40.44 N ATOM 45 CA CYS 208 -13.822 36.932 57.510 1.00 40.44 C ATOM 46 CB CYS 208 -12.418 37.522 57.291 1.00 40.44 C ATOM 47 SG CYS 208 -11.129 36.602 58.183 1.00 40.44 S ATOM 48 C CYS 208 -14.167 37.078 58.953 1.00 40.44 C ATOM 49 O CYS 208 -14.490 38.163 59.434 1.00 40.44 O ATOM 50 N SER 209 -14.094 35.963 59.693 1.00 38.87 N ATOM 51 CA SER 209 -14.478 35.998 61.070 1.00 38.87 C ATOM 52 CB SER 209 -14.471 34.614 61.743 1.00 38.87 C ATOM 53 OG SER 209 -13.143 34.121 61.847 1.00 38.87 O ATOM 54 C SER 209 -13.541 36.867 61.849 1.00 38.87 C ATOM 55 O SER 209 -13.968 37.574 62.761 1.00 38.87 O ATOM 56 N GLN 210 -12.226 36.810 61.552 1.00 99.49 N ATOM 57 CA GLN 210 -11.323 37.549 62.392 1.00 99.49 C ATOM 58 CB GLN 210 -9.847 37.239 62.085 1.00 99.49 C ATOM 59 CG GLN 210 -8.844 37.918 63.020 1.00 99.49 C ATOM 60 CD GLN 210 -8.588 36.996 64.209 1.00 99.49 C ATOM 61 OE1 GLN 210 -9.469 36.257 64.650 1.00 99.49 O ATOM 62 NE2 GLN 210 -7.343 37.047 64.753 1.00 99.49 N ATOM 63 C GLN 210 -11.476 39.040 62.256 1.00 99.49 C ATOM 64 O GLN 210 -11.804 39.720 63.228 1.00 99.49 O ATOM 65 N CYS 211 -11.225 39.580 61.039 1.00 62.71 N ATOM 66 CA CYS 211 -11.254 41.000 60.758 1.00 62.71 C ATOM 67 CB CYS 211 -10.443 41.385 59.504 1.00 62.71 C ATOM 68 SG CYS 211 -11.045 40.605 57.975 1.00 62.71 S ATOM 69 C CYS 211 -12.642 41.545 60.591 1.00 62.71 C ATOM 70 O CYS 211 -12.942 42.658 61.024 1.00 62.71 O ATOM 71 N GLY 212 -13.532 40.772 59.943 1.00 26.36 N ATOM 72 CA GLY 212 -14.854 41.259 59.685 1.00 26.36 C ATOM 73 C GLY 212 -14.897 41.829 58.300 1.00 26.36 C ATOM 74 O GLY 212 -15.904 42.410 57.898 1.00 26.36 O ATOM 75 N LYS 213 -13.798 41.684 57.531 1.00 58.74 N ATOM 76 CA LYS 213 -13.768 42.189 56.186 1.00 58.74 C ATOM 77 CB LYS 213 -12.362 42.254 55.573 1.00 58.74 C ATOM 78 CG LYS 213 -12.355 42.843 54.159 1.00 58.74 C ATOM 79 CD LYS 213 -10.967 43.285 53.694 1.00 58.74 C ATOM 80 CE LYS 213 -10.965 44.077 52.389 1.00 58.74 C ATOM 81 NZ LYS 213 -9.624 44.659 52.194 1.00 58.74 N ATOM 82 C LYS 213 -14.613 41.309 55.313 1.00 58.74 C ATOM 83 O LYS 213 -14.720 40.103 55.543 1.00 58.74 O ATOM 84 N SER 214 -15.234 41.913 54.276 1.00 47.45 N ATOM 85 CA SER 214 -16.139 41.185 53.421 1.00 47.45 C ATOM 86 CB SER 214 -17.503 41.874 53.251 1.00 47.45 C ATOM 87 OG SER 214 -18.186 41.915 54.495 1.00 47.45 O ATOM 88 C SER 214 -15.559 41.069 52.041 1.00 47.45 C ATOM 89 O SER 214 -14.841 41.953 51.575 1.00 47.45 O ATOM 90 N PHE 215 -15.882 39.959 51.340 1.00 65.34 N ATOM 91 CA PHE 215 -15.332 39.727 50.035 1.00 65.34 C ATOM 92 CB PHE 215 -14.268 38.621 50.046 1.00 65.34 C ATOM 93 CG PHE 215 -13.108 39.093 50.860 1.00 65.34 C ATOM 94 CD1 PHE 215 -12.122 39.852 50.274 1.00 65.34 C ATOM 95 CD2 PHE 215 -13.001 38.776 52.197 1.00 65.34 C ATOM 96 CE1 PHE 215 -11.044 40.289 51.004 1.00 65.34 C ATOM 97 CE2 PHE 215 -11.924 39.211 52.934 1.00 65.34 C ATOM 98 CZ PHE 215 -10.946 39.972 52.337 1.00 65.34 C ATOM 99 C PHE 215 -16.404 39.280 49.085 1.00 65.34 C ATOM 100 O PHE 215 -17.404 38.669 49.465 1.00 65.34 O ATOM 101 N SER 216 -16.189 39.607 47.796 1.00 41.33 N ATOM 102 CA SER 216 -17.049 39.259 46.706 1.00 41.33 C ATOM 103 CB SER 216 -16.606 39.949 45.408 1.00 41.33 C ATOM 104 OG SER 216 -15.268 39.580 45.103 1.00 41.33 O ATOM 105 C SER 216 -17.002 37.774 46.469 1.00 41.33 C ATOM 106 O SER 216 -18.029 37.172 46.161 1.00 41.33 O ATOM 107 N GLN 217 -15.817 37.137 46.604 1.00 53.96 N ATOM 108 CA GLN 217 -15.736 35.737 46.275 1.00 53.96 C ATOM 109 CB GLN 217 -14.798 35.450 45.086 1.00 53.96 C ATOM 110 CG GLN 217 -15.309 35.972 43.741 1.00 53.96 C ATOM 111 CD GLN 217 -14.166 35.810 42.755 1.00 53.96 C ATOM 112 OE1 GLN 217 -13.893 36.702 41.954 1.00 53.96 O ATOM 113 NE2 GLN 217 -13.466 34.646 42.828 1.00 53.96 N ATOM 114 C GLN 217 -15.228 34.941 47.441 1.00 53.96 C ATOM 115 O GLN 217 -14.434 35.412 48.256 1.00 53.96 O ATOM 116 N SER 218 -15.693 33.680 47.536 1.00 26.05 N ATOM 117 CA SER 218 -15.298 32.810 48.604 1.00 26.05 C ATOM 118 CB SER 218 -16.065 31.475 48.604 1.00 26.05 C ATOM 119 OG SER 218 -17.438 31.703 48.890 1.00 26.05 O ATOM 120 C SER 218 -13.835 32.498 48.478 1.00 26.05 C ATOM 121 O SER 218 -13.127 32.403 49.479 1.00 26.05 O ATOM 122 N SER 219 -13.339 32.340 47.235 1.00 70.50 N ATOM 123 CA SER 219 -11.962 31.977 47.042 1.00 70.50 C ATOM 124 CB SER 219 -11.585 31.785 45.558 1.00 70.50 C ATOM 125 OG SER 219 -12.256 30.655 45.018 1.00 70.50 O ATOM 126 C SER 219 -11.083 33.056 47.592 1.00 70.50 C ATOM 127 O SER 219 -10.090 32.772 48.263 1.00 70.50 O ATOM 128 N SER 220 -11.431 34.332 47.332 1.00 64.06 N ATOM 129 CA SER 220 -10.597 35.411 47.778 1.00 64.06 C ATOM 130 CB SER 220 -11.031 36.788 47.250 1.00 64.06 C ATOM 131 OG SER 220 -10.158 37.790 47.754 1.00 64.06 O ATOM 132 C SER 220 -10.613 35.469 49.271 1.00 64.06 C ATOM 133 O SER 220 -9.602 35.775 49.898 1.00 64.06 O ATOM 134 N LEU 221 -11.765 35.161 49.889 1.00100.29 N ATOM 135 CA LEU 221 -11.862 35.236 51.316 1.00100.29 C ATOM 136 CB LEU 221 -13.283 34.862 51.779 1.00100.29 C ATOM 137 CG LEU 221 -13.652 35.160 53.246 1.00100.29 C ATOM 138 CD1 LEU 221 -15.020 34.542 53.578 1.00100.29 C ATOM 139 CD2 LEU 221 -12.560 34.743 54.239 1.00100.29 C ATOM 140 C LEU 221 -10.868 34.247 51.864 1.00100.29 C ATOM 141 O LEU 221 -10.137 34.543 52.808 1.00100.29 O ATOM 142 N ASN 222 -10.781 33.053 51.243 1.00 44.04 N ATOM 143 CA ASN 222 -9.892 32.024 51.713 1.00 44.04 C ATOM 144 CB ASN 222 -9.993 30.706 50.928 1.00 44.04 C ATOM 145 CG ASN 222 -11.201 29.960 51.475 1.00 44.04 C ATOM 146 OD1 ASN 222 -11.126 28.770 51.772 1.00 44.04 O ATOM 147 ND2 ASN 222 -12.350 30.674 51.617 1.00 44.04 N ATOM 148 C ASN 222 -8.475 32.488 51.625 1.00 44.04 C ATOM 149 O ASN 222 -7.676 32.219 52.520 1.00 44.04 O ATOM 150 N ILE 223 -8.114 33.190 50.536 1.00 77.23 N ATOM 151 CA ILE 223 -6.759 33.645 50.428 1.00 77.23 C ATOM 152 CB ILE 223 -6.441 34.321 49.124 1.00 77.23 C ATOM 153 CG1 ILE 223 -6.584 33.320 47.965 1.00 77.23 C ATOM 154 CG2 ILE 223 -5.022 34.908 49.241 1.00 77.23 C ATOM 155 CD1 ILE 223 -5.655 32.114 48.104 1.00 77.23 C ATOM 156 C ILE 223 -6.517 34.619 51.535 1.00 77.23 C ATOM 157 O ILE 223 -5.452 34.628 52.151 1.00 77.23 O ATOM 158 N HIS 224 -7.513 35.473 51.824 1.00 55.59 N ATOM 159 CA HIS 224 -7.328 36.452 52.850 1.00 55.59 C ATOM 160 ND1 HIS 224 -7.223 39.214 54.290 1.00 55.59 N ATOM 161 CG HIS 224 -8.249 38.297 54.218 1.00 55.59 C ATOM 162 CB HIS 224 -8.509 37.412 53.039 1.00 55.59 C ATOM 163 NE2 HIS 224 -8.277 39.288 56.243 1.00 55.59 N ATOM 164 CD2 HIS 224 -8.884 38.357 55.420 1.00 55.59 C ATOM 165 CE1 HIS 224 -7.285 39.779 55.521 1.00 55.59 C ATOM 166 C HIS 224 -7.108 35.785 54.168 1.00 55.59 C ATOM 167 O HIS 224 -6.268 36.227 54.951 1.00 55.59 O ATOM 168 N MET 225 -7.846 34.697 54.457 1.00 36.02 N ATOM 169 CA MET 225 -7.722 34.087 55.749 1.00 36.02 C ATOM 170 CB MET 225 -8.729 32.945 55.992 1.00 36.02 C ATOM 171 CG MET 225 -10.180 33.437 56.080 1.00 36.02 C ATOM 172 SD MET 225 -11.357 32.220 56.749 1.00 36.02 S ATOM 173 CE MET 225 -10.694 32.289 58.440 1.00 36.02 C ATOM 174 C MET 225 -6.319 33.587 55.946 1.00 36.02 C ATOM 175 O MET 225 -5.778 33.683 57.047 1.00 36.02 O ATOM 176 N ARG 226 -5.671 33.038 54.900 1.00 93.07 N ATOM 177 CA ARG 226 -4.320 32.597 55.120 1.00 93.07 C ATOM 178 CB ARG 226 -3.651 31.893 53.923 1.00 93.07 C ATOM 179 CG ARG 226 -3.498 32.788 52.694 1.00 93.07 C ATOM 180 CD ARG 226 -2.462 32.317 51.666 1.00 93.07 C ATOM 181 NE ARG 226 -3.157 31.620 50.547 1.00 93.07 N ATOM 182 CZ ARG 226 -3.191 30.256 50.514 1.00 93.07 C ATOM 183 NH1 ARG 226 -2.696 29.538 51.562 1.00 93.07 N ATOM 184 NH2 ARG 226 -3.696 29.612 49.421 1.00 93.07 N ATOM 185 C ARG 226 -3.461 33.828 55.419 1.00 93.07 C ATOM 186 O ARG 226 -2.503 33.684 56.224 1.00 93.07 O ATOM 187 OXT ARG 226 -3.741 34.917 54.848 1.00 93.07 O