EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:24 REMARK 6 MODELLER OBJECTIVE FUNCTION: 114.5548 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 41.667 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1420.61218 REMARK 6 GA341 score: 0.85415 REMARK 6 Normalized DOPE score: -1.12496 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 41.7% ATOM 1 N GLU 175 -19.690 27.263 51.635 1.00 70.93 N ATOM 2 CA GLU 175 -19.375 27.867 50.323 1.00 70.93 C ATOM 3 CB GLU 175 -20.463 28.874 49.923 1.00 70.93 C ATOM 4 CG GLU 175 -21.852 28.283 49.670 1.00 70.93 C ATOM 5 CD GLU 175 -22.679 29.414 49.077 1.00 70.93 C ATOM 6 OE1 GLU 175 -22.067 30.281 48.396 1.00 70.93 O ATOM 7 OE2 GLU 175 -23.925 29.435 49.288 1.00 70.93 O ATOM 8 C GLU 175 -18.086 28.614 50.414 1.00 70.93 C ATOM 9 O GLU 175 -17.014 28.063 50.165 1.00 70.93 O ATOM 10 N ARG 176 -18.168 29.901 50.782 1.00 94.44 N ATOM 11 CA ARG 176 -16.981 30.687 50.879 1.00 94.44 C ATOM 12 CB ARG 176 -17.335 32.168 51.062 1.00 94.44 C ATOM 13 CG ARG 176 -18.221 32.604 49.899 1.00 94.44 C ATOM 14 CD ARG 176 -18.967 33.916 50.100 1.00 94.44 C ATOM 15 NE ARG 176 -19.767 34.125 48.861 1.00 94.44 N ATOM 16 CZ ARG 176 -20.853 34.948 48.896 1.00 94.44 C ATOM 17 NH1 ARG 176 -21.184 35.585 50.055 1.00 94.44 N ATOM 18 NH2 ARG 176 -21.618 35.137 47.782 1.00 94.44 N ATOM 19 C ARG 176 -16.261 30.166 52.076 1.00 94.44 C ATOM 20 O ARG 176 -16.499 30.585 53.208 1.00 94.44 O ATOM 21 N SER 177 -15.347 29.209 51.832 1.00101.87 N ATOM 22 CA SER 177 -14.650 28.530 52.882 1.00101.87 C ATOM 23 CB SER 177 -13.824 27.326 52.408 1.00101.87 C ATOM 24 OG SER 177 -14.681 26.308 51.920 1.00101.87 O ATOM 25 C SER 177 -13.689 29.446 53.542 1.00101.87 C ATOM 26 O SER 177 -13.326 29.244 54.700 1.00101.87 O ATOM 27 N PHE 178 -13.247 30.487 52.821 1.00127.45 N ATOM 28 CA PHE 178 -12.238 31.320 53.390 1.00127.45 C ATOM 29 CB PHE 178 -11.370 32.011 52.332 1.00127.45 C ATOM 30 CG PHE 178 -10.509 30.893 51.891 1.00127.45 C ATOM 31 CD1 PHE 178 -10.899 30.048 50.879 1.00127.45 C ATOM 32 CD2 PHE 178 -9.317 30.674 52.535 1.00127.45 C ATOM 33 CE1 PHE 178 -10.090 29.001 50.507 1.00127.45 C ATOM 34 CE2 PHE 178 -8.504 29.634 52.166 1.00127.45 C ATOM 35 CZ PHE 178 -8.893 28.795 51.149 1.00127.45 C ATOM 36 C PHE 178 -12.859 32.337 54.273 1.00127.45 C ATOM 37 O PHE 178 -13.581 33.221 53.817 1.00127.45 O ATOM 38 N THR 179 -12.556 32.241 55.582 1.00104.73 N ATOM 39 CA THR 179 -13.122 33.152 56.527 1.00104.73 C ATOM 40 CB THR 179 -13.843 32.453 57.644 1.00104.73 C ATOM 41 OG1 THR 179 -14.399 33.393 58.551 1.00104.73 O ATOM 42 CG2 THR 179 -12.842 31.540 58.368 1.00104.73 C ATOM 43 C THR 179 -12.017 33.959 57.123 1.00104.73 C ATOM 44 O THR 179 -10.947 33.447 57.458 1.00104.73 O ATOM 45 N CYS 180 -12.258 35.280 57.227 1.00 47.95 N ATOM 46 CA CYS 180 -11.339 36.197 57.824 1.00 47.95 C ATOM 47 CB CYS 180 -11.664 37.647 57.425 1.00 47.95 C ATOM 48 SG CYS 180 -10.567 38.875 58.184 1.00 47.95 S ATOM 49 C CYS 180 -11.517 36.066 59.301 1.00 47.95 C ATOM 50 O CYS 180 -12.611 36.255 59.828 1.00 47.95 O ATOM 51 N THR 181 -10.428 35.743 60.019 1.00 40.79 N ATOM 52 CA THR 181 -10.553 35.550 61.433 1.00 40.79 C ATOM 53 CB THR 181 -9.298 35.032 62.075 1.00 40.79 C ATOM 54 OG1 THR 181 -8.919 33.789 61.492 1.00 40.79 O ATOM 55 CG2 THR 181 -9.578 34.827 63.574 1.00 40.79 C ATOM 56 C THR 181 -10.925 36.855 62.079 1.00 40.79 C ATOM 57 O THR 181 -11.707 36.888 63.028 1.00 40.79 O ATOM 58 N GLN 182 -10.338 37.976 61.618 1.00101.45 N ATOM 59 CA GLN 182 -10.632 39.223 62.267 1.00101.45 C ATOM 60 CB GLN 182 -9.706 40.341 61.757 1.00101.45 C ATOM 61 CG GLN 182 -9.762 41.658 62.537 1.00101.45 C ATOM 62 CD GLN 182 -11.000 42.445 62.131 1.00101.45 C ATOM 63 OE1 GLN 182 -11.247 42.673 60.948 1.00101.45 O ATOM 64 NE2 GLN 182 -11.798 42.884 63.142 1.00101.45 N ATOM 65 C GLN 182 -12.047 39.688 62.028 1.00101.45 C ATOM 66 O GLN 182 -12.819 39.869 62.971 1.00101.45 O ATOM 67 N CYS 183 -12.413 39.897 60.743 1.00107.90 N ATOM 68 CA CYS 183 -13.695 40.431 60.343 1.00107.90 C ATOM 69 CB CYS 183 -13.760 40.768 58.846 1.00107.90 C ATOM 70 SG CYS 183 -12.488 41.924 58.284 1.00107.90 S ATOM 71 C CYS 183 -14.790 39.433 60.507 1.00107.90 C ATOM 72 O CYS 183 -15.858 39.734 61.037 1.00107.90 O ATOM 73 N GLY 184 -14.540 38.197 60.036 1.00 29.91 N ATOM 74 CA GLY 184 -15.556 37.189 60.010 1.00 29.91 C ATOM 75 C GLY 184 -16.114 37.134 58.615 1.00 29.91 C ATOM 76 O GLY 184 -16.972 36.303 58.317 1.00 29.91 O ATOM 77 N LYS 185 -15.634 38.021 57.716 1.00 68.05 N ATOM 78 CA LYS 185 -16.117 38.039 56.362 1.00 68.05 C ATOM 79 CB LYS 185 -15.713 39.301 55.584 1.00 68.05 C ATOM 80 CG LYS 185 -16.311 39.348 54.177 1.00 68.05 C ATOM 81 CD LYS 185 -16.326 40.749 53.567 1.00 68.05 C ATOM 82 CE LYS 185 -17.001 40.805 52.197 1.00 68.05 C ATOM 83 NZ LYS 185 -17.343 42.202 51.861 1.00 68.05 N ATOM 84 C LYS 185 -15.591 36.837 55.634 1.00 68.05 C ATOM 85 O LYS 185 -14.471 36.391 55.879 1.00 68.05 O ATOM 86 N SER 186 -16.412 36.279 54.711 1.00 61.45 N ATOM 87 CA SER 186 -16.036 35.093 53.979 1.00 61.45 C ATOM 88 CB SER 186 -17.114 33.993 53.945 1.00 61.45 C ATOM 89 OG SER 186 -17.234 33.381 55.220 1.00 61.45 O ATOM 90 C SER 186 -15.772 35.455 52.554 1.00 61.45 C ATOM 91 O SER 186 -16.346 36.399 52.012 1.00 61.45 O ATOM 92 N PHE 187 -14.874 34.682 51.909 1.00147.01 N ATOM 93 CA PHE 187 -14.508 34.959 50.551 1.00147.01 C ATOM 94 CB PHE 187 -13.045 35.436 50.421 1.00147.01 C ATOM 95 CG PHE 187 -12.892 36.777 51.069 1.00147.01 C ATOM 96 CD1 PHE 187 -12.593 36.879 52.410 1.00147.01 C ATOM 97 CD2 PHE 187 -13.042 37.938 50.342 1.00147.01 C ATOM 98 CE1 PHE 187 -12.451 38.108 53.013 1.00147.01 C ATOM 99 CE2 PHE 187 -12.897 39.168 50.941 1.00147.01 C ATOM 100 CZ PHE 187 -12.598 39.258 52.279 1.00147.01 C ATOM 101 C PHE 187 -14.643 33.703 49.746 1.00147.01 C ATOM 102 O PHE 187 -14.442 32.590 50.233 1.00147.01 O ATOM 103 N ARG 188 -15.043 33.869 48.475 1.00147.21 N ATOM 104 CA ARG 188 -15.157 32.767 47.572 1.00147.21 C ATOM 105 CB ARG 188 -15.803 33.160 46.235 1.00147.21 C ATOM 106 CG ARG 188 -14.992 34.200 45.464 1.00147.21 C ATOM 107 CD ARG 188 -15.737 34.773 44.262 1.00147.21 C ATOM 108 NE ARG 188 -16.158 33.631 43.403 1.00147.21 N ATOM 109 CZ ARG 188 -16.798 33.908 42.236 1.00147.21 C ATOM 110 NH1 ARG 188 -16.925 35.212 41.849 1.00147.21 N ATOM 111 NH2 ARG 188 -17.316 32.911 41.461 1.00147.21 N ATOM 112 C ARG 188 -13.781 32.265 47.277 1.00147.21 C ATOM 113 O ARG 188 -13.574 31.058 47.158 1.00147.21 O ATOM 114 N GLN 189 -12.794 33.184 47.152 1.00126.64 N ATOM 115 CA GLN 189 -11.485 32.742 46.777 1.00126.64 C ATOM 116 CB GLN 189 -10.943 33.339 45.463 1.00126.64 C ATOM 117 CG GLN 189 -10.644 34.842 45.514 1.00126.64 C ATOM 118 CD GLN 189 -11.696 35.619 44.728 1.00126.64 C ATOM 119 OE1 GLN 189 -12.474 35.051 43.964 1.00126.64 O ATOM 120 NE2 GLN 189 -11.701 36.968 44.895 1.00126.64 N ATOM 121 C GLN 189 -10.481 33.079 47.834 1.00126.64 C ATOM 122 O GLN 189 -10.602 34.067 48.557 1.00126.64 O ATOM 123 N SER 190 -9.447 32.224 47.908 1.00 37.69 N ATOM 124 CA SER 190 -8.362 32.305 48.839 1.00 37.69 C ATOM 125 CB SER 190 -7.373 31.138 48.648 1.00 37.69 C ATOM 126 OG SER 190 -8.051 29.895 48.734 1.00 37.69 O ATOM 127 C SER 190 -7.585 33.558 48.578 1.00 37.69 C ATOM 128 O SER 190 -7.183 34.260 49.505 1.00 37.69 O ATOM 129 N SER 191 -7.371 33.881 47.291 1.00 64.69 N ATOM 130 CA SER 191 -6.528 34.991 46.962 1.00 64.69 C ATOM 131 CB SER 191 -6.387 35.221 45.446 1.00 64.69 C ATOM 132 OG SER 191 -5.539 36.333 45.207 1.00 64.69 O ATOM 133 C SER 191 -7.122 36.233 47.517 1.00 64.69 C ATOM 134 O SER 191 -6.407 37.093 48.029 1.00 64.69 O ATOM 135 N GLN 192 -8.456 36.362 47.417 1.00 82.24 N ATOM 136 CA GLN 192 -9.087 37.568 47.857 1.00 82.24 C ATOM 137 CB GLN 192 -10.554 37.709 47.431 1.00 82.24 C ATOM 138 CG GLN 192 -11.103 39.101 47.749 1.00 82.24 C ATOM 139 CD GLN 192 -12.466 39.234 47.096 1.00 82.24 C ATOM 140 OE1 GLN 192 -13.337 38.388 47.286 1.00 82.24 O ATOM 141 NE2 GLN 192 -12.658 40.321 46.300 1.00 82.24 N ATOM 142 C GLN 192 -9.001 37.700 49.343 1.00 82.24 C ATOM 143 O GLN 192 -8.830 38.807 49.851 1.00 82.24 O ATOM 144 N LEU 193 -9.123 36.584 50.092 1.00110.42 N ATOM 145 CA LEU 193 -9.099 36.710 51.523 1.00110.42 C ATOM 146 CB LEU 193 -9.290 35.373 52.274 1.00110.42 C ATOM 147 CG LEU 193 -9.673 35.487 53.778 1.00110.42 C ATOM 148 CD1 LEU 193 -9.479 34.147 54.499 1.00110.42 C ATOM 149 CD2 LEU 193 -9.036 36.674 54.518 1.00110.42 C ATOM 150 C LEU 193 -7.744 37.237 51.876 1.00110.42 C ATOM 151 O LEU 193 -7.605 38.128 52.711 1.00110.42 O ATOM 152 N ASN 194 -6.698 36.735 51.192 1.00 86.03 N ATOM 153 CA ASN 194 -5.340 37.113 51.482 1.00 86.03 C ATOM 154 CB ASN 194 -4.331 36.448 50.524 1.00 86.03 C ATOM 155 CG ASN 194 -2.917 36.666 51.050 1.00 86.03 C ATOM 156 OD1 ASN 194 -2.312 35.761 51.621 1.00 86.03 O ATOM 157 ND2 ASN 194 -2.362 37.893 50.848 1.00 86.03 N ATOM 158 C ASN 194 -5.175 38.593 51.328 1.00 86.03 C ATOM 159 O ASN 194 -4.617 39.249 52.206 1.00 86.03 O ATOM 160 N GLU 195 -5.663 39.177 50.217 1.00 97.31 N ATOM 161 CA GLU 195 -5.450 40.583 50.036 1.00 97.31 C ATOM 162 CB GLU 195 -5.851 41.101 48.643 1.00 97.31 C ATOM 163 CG GLU 195 -5.271 42.483 48.323 1.00 97.31 C ATOM 164 CD GLU 195 -3.800 42.314 47.956 1.00 97.31 C ATOM 165 OE1 GLU 195 -3.518 41.528 47.016 1.00 97.31 O ATOM 166 OE2 GLU 195 -2.939 42.963 48.613 1.00 97.31 O ATOM 167 C GLU 195 -6.224 41.332 51.078 1.00 97.31 C ATOM 168 O GLU 195 -5.762 42.346 51.603 1.00 97.31 O ATOM 169 N HIS 196 -7.425 40.830 51.416 1.00 43.76 N ATOM 170 CA HIS 196 -8.251 41.480 52.388 1.00 43.76 C ATOM 171 ND1 HIS 196 -11.253 42.541 53.248 1.00 43.76 N ATOM 172 CG HIS 196 -10.486 41.445 53.582 1.00 43.76 C ATOM 173 CB HIS 196 -9.579 40.736 52.622 1.00 43.76 C ATOM 174 NE2 HIS 196 -11.661 42.109 55.390 1.00 43.76 N ATOM 175 CD2 HIS 196 -10.749 41.193 54.893 1.00 43.76 C ATOM 176 CE1 HIS 196 -11.934 42.895 54.371 1.00 43.76 C ATOM 177 C HIS 196 -7.506 41.507 53.686 1.00 43.76 C ATOM 178 O HIS 196 -7.525 42.507 54.404 1.00 43.76 O ATOM 179 N MET 197 -6.821 40.395 54.008 1.00113.30 N ATOM 180 CA MET 197 -6.121 40.217 55.246 1.00113.30 C ATOM 181 CB MET 197 -5.555 38.794 55.387 1.00113.30 C ATOM 182 CG MET 197 -5.022 38.498 56.786 1.00113.30 C ATOM 183 SD MET 197 -4.630 36.751 57.095 1.00113.30 S ATOM 184 CE MET 197 -6.338 36.264 57.479 1.00113.30 C ATOM 185 C MET 197 -4.977 41.185 55.383 1.00113.30 C ATOM 186 O MET 197 -4.767 41.744 56.460 1.00113.30 O ATOM 187 N THR 198 -4.209 41.417 54.303 1.00 95.09 N ATOM 188 CA THR 198 -3.065 42.279 54.432 1.00 95.09 C ATOM 189 CB THR 198 -2.119 42.244 53.251 1.00 95.09 C ATOM 190 OG1 THR 198 -2.738 42.730 52.070 1.00 95.09 O ATOM 191 CG2 THR 198 -1.656 40.792 53.031 1.00 95.09 C ATOM 192 C THR 198 -3.502 43.730 54.677 1.00 95.09 C ATOM 193 O THR 198 -3.721 44.473 53.681 1.00 95.09 O ATOM 194 OXT THR 198 -3.606 44.122 55.866 1.00 95.09 O