EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:00:04 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.4075 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 48.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1528.87952 REMARK 6 GA341 score: 0.87221 REMARK 6 Normalized DOPE score: -0.37736 REMARK 6 TEMPLATE: 2i13A02 79:A - 103:A MODELS 1: - 25: AT 48.0% ATOM 1 N LYS 251 -21.404 31.332 57.472 1.00125.81 N ATOM 2 CA LYS 251 -21.725 32.359 58.489 1.00125.81 C ATOM 3 CB LYS 251 -22.881 33.255 58.007 1.00125.81 C ATOM 4 CG LYS 251 -22.638 33.925 56.656 1.00125.81 C ATOM 5 CD LYS 251 -22.734 32.965 55.464 1.00125.81 C ATOM 6 CE LYS 251 -24.166 32.512 55.163 1.00125.81 C ATOM 7 NZ LYS 251 -24.188 31.609 53.987 1.00125.81 N ATOM 8 C LYS 251 -22.205 31.688 59.736 1.00125.81 C ATOM 9 O LYS 251 -23.002 30.752 59.677 1.00125.81 O ATOM 10 N CYS 252 -21.713 32.137 60.907 1.00 42.80 N ATOM 11 CA CYS 252 -22.204 31.554 62.122 1.00 42.80 C ATOM 12 CB CYS 252 -21.354 31.897 63.358 1.00 42.80 C ATOM 13 SG CYS 252 -21.980 31.141 64.887 1.00 42.80 S ATOM 14 C CYS 252 -23.569 32.124 62.318 1.00 42.80 C ATOM 15 O CYS 252 -23.762 33.335 62.217 1.00 42.80 O ATOM 16 N LEU 253 -24.567 31.262 62.584 1.00 85.94 N ATOM 17 CA LEU 253 -25.906 31.758 62.707 1.00 85.94 C ATOM 18 CB LEU 253 -26.945 30.637 62.899 1.00 85.94 C ATOM 19 CG LEU 253 -27.080 29.683 61.694 1.00 85.94 C ATOM 20 CD1 LEU 253 -25.782 28.895 61.451 1.00 85.94 C ATOM 21 CD2 LEU 253 -28.309 28.768 61.839 1.00 85.94 C ATOM 22 C LEU 253 -26.015 32.662 63.892 1.00 85.94 C ATOM 23 O LEU 253 -26.561 33.759 63.785 1.00 85.94 O ATOM 24 N GLU 254 -25.517 32.219 65.061 1.00108.95 N ATOM 25 CA GLU 254 -25.721 33.023 66.227 1.00108.95 C ATOM 26 CB GLU 254 -25.498 32.238 67.530 1.00108.95 C ATOM 27 CG GLU 254 -26.519 31.107 67.681 1.00108.95 C ATOM 28 CD GLU 254 -26.510 30.601 69.114 1.00108.95 C ATOM 29 OE1 GLU 254 -25.763 31.183 69.945 1.00108.95 O ATOM 30 OE2 GLU 254 -27.261 29.630 69.397 1.00108.95 O ATOM 31 C GLU 254 -24.891 34.277 66.250 1.00108.95 C ATOM 32 O GLU 254 -25.420 35.368 66.454 1.00108.95 O ATOM 33 N CYS 255 -23.566 34.131 66.061 1.00107.38 N ATOM 34 CA CYS 255 -22.577 35.176 66.141 1.00107.38 C ATOM 35 CB CYS 255 -21.165 34.579 66.261 1.00107.38 C ATOM 36 SG CYS 255 -19.872 35.844 66.368 1.00107.38 S ATOM 37 C CYS 255 -22.575 36.089 64.949 1.00107.38 C ATOM 38 O CYS 255 -22.334 37.289 65.078 1.00107.38 O ATOM 39 N GLU 256 -22.863 35.537 63.754 1.00 99.44 N ATOM 40 CA GLU 256 -22.748 36.242 62.504 1.00 99.44 C ATOM 41 CB GLU 256 -23.334 37.665 62.532 1.00 99.44 C ATOM 42 CG GLU 256 -23.405 38.301 61.140 1.00 99.44 C ATOM 43 CD GLU 256 -23.660 39.796 61.283 1.00 99.44 C ATOM 44 OE1 GLU 256 -23.975 40.237 62.420 1.00 99.44 O ATOM 45 OE2 GLU 256 -23.533 40.521 60.260 1.00 99.44 O ATOM 46 C GLU 256 -21.291 36.375 62.153 1.00 99.44 C ATOM 47 O GLU 256 -20.913 37.179 61.302 1.00 99.44 O ATOM 48 N LYS 257 -20.426 35.554 62.775 1.00 96.27 N ATOM 49 CA LYS 257 -19.027 35.576 62.453 1.00 96.27 C ATOM 50 CB LYS 257 -18.174 34.816 63.485 1.00 96.27 C ATOM 51 CG LYS 257 -16.665 34.863 63.251 1.00 96.27 C ATOM 52 CD LYS 257 -16.005 36.167 63.687 1.00 96.27 C ATOM 53 CE LYS 257 -14.478 36.122 63.592 1.00 96.27 C ATOM 54 NZ LYS 257 -13.894 37.386 64.089 1.00 96.27 N ATOM 55 C LYS 257 -18.882 34.845 61.149 1.00 96.27 C ATOM 56 O LYS 257 -19.566 33.849 60.917 1.00 96.27 O ATOM 57 N THR 258 -17.977 35.310 60.259 1.00114.38 N ATOM 58 CA THR 258 -17.816 34.639 58.996 1.00114.38 C ATOM 59 CB THR 258 -17.914 35.561 57.815 1.00114.38 C ATOM 60 OG1 THR 258 -16.905 36.558 57.883 1.00114.38 O ATOM 61 CG2 THR 258 -19.306 36.217 57.819 1.00114.38 C ATOM 62 C THR 258 -16.462 34.001 58.978 1.00114.38 C ATOM 63 O THR 258 -15.521 34.494 59.597 1.00114.38 O ATOM 64 N PHE 259 -16.332 32.862 58.264 1.00141.86 N ATOM 65 CA PHE 259 -15.080 32.159 58.285 1.00141.86 C ATOM 66 CB PHE 259 -15.151 30.832 59.052 1.00141.86 C ATOM 67 CG PHE 259 -15.332 31.161 60.487 1.00141.86 C ATOM 68 CD1 PHE 259 -16.589 31.380 61.001 1.00141.86 C ATOM 69 CD2 PHE 259 -14.240 31.264 61.317 1.00141.86 C ATOM 70 CE1 PHE 259 -16.752 31.687 62.329 1.00141.86 C ATOM 71 CE2 PHE 259 -14.396 31.570 62.647 1.00141.86 C ATOM 72 CZ PHE 259 -15.656 31.781 63.154 1.00141.86 C ATOM 73 C PHE 259 -14.642 31.819 56.903 1.00141.86 C ATOM 74 O PHE 259 -15.439 31.738 55.969 1.00141.86 O ATOM 75 N ILE 260 -13.317 31.615 56.769 1.00130.88 N ATOM 76 CA ILE 260 -12.687 31.268 55.533 1.00130.88 C ATOM 77 CB ILE 260 -11.183 31.230 55.669 1.00130.88 C ATOM 78 CG1 ILE 260 -10.467 31.062 54.312 1.00130.88 C ATOM 79 CG2 ILE 260 -10.824 30.160 56.713 1.00130.88 C ATOM 80 CD1 ILE 260 -10.664 29.709 53.628 1.00130.88 C ATOM 81 C ILE 260 -13.195 29.925 55.106 1.00130.88 C ATOM 82 O ILE 260 -13.537 29.742 53.938 1.00130.88 O ATOM 83 N THR 261 -13.276 28.944 56.031 1.00101.29 N ATOM 84 CA THR 261 -13.714 27.647 55.597 1.00101.29 C ATOM 85 CB THR 261 -12.616 26.635 55.485 1.00101.29 C ATOM 86 OG1 THR 261 -13.111 25.460 54.859 1.00101.29 O ATOM 87 CG2 THR 261 -12.075 26.314 56.887 1.00101.29 C ATOM 88 C THR 261 -14.748 27.097 56.527 1.00101.29 C ATOM 89 O THR 261 -14.895 27.524 57.672 1.00101.29 O ATOM 90 N THR 262 -15.496 26.102 56.012 1.00 99.54 N ATOM 91 CA THR 262 -16.588 25.487 56.703 1.00 99.54 C ATOM 92 CB THR 262 -17.339 24.508 55.846 1.00 99.54 C ATOM 93 OG1 THR 262 -16.493 23.438 55.453 1.00 99.54 O ATOM 94 CG2 THR 262 -17.864 25.253 54.605 1.00 99.54 C ATOM 95 C THR 262 -16.097 24.770 57.922 1.00 99.54 C ATOM 96 O THR 262 -16.729 24.830 58.974 1.00 99.54 O ATOM 97 N GLY 263 -14.944 24.083 57.825 1.00 17.02 N ATOM 98 CA GLY 263 -14.447 23.311 58.933 1.00 17.02 C ATOM 99 C GLY 263 -14.162 24.212 60.094 1.00 17.02 C ATOM 100 O GLY 263 -14.394 23.853 61.247 1.00 17.02 O ATOM 101 N GLU 264 -13.613 25.406 59.824 1.00 63.08 N ATOM 102 CA GLU 264 -13.307 26.309 60.893 1.00 63.08 C ATOM 103 CB GLU 264 -12.540 27.555 60.420 1.00 63.08 C ATOM 104 CG GLU 264 -11.093 27.249 60.028 1.00 63.08 C ATOM 105 CD GLU 264 -10.354 26.884 61.306 1.00 63.08 C ATOM 106 OE1 GLU 264 -10.971 27.036 62.393 1.00 63.08 O ATOM 107 OE2 GLU 264 -9.170 26.459 61.220 1.00 63.08 O ATOM 108 C GLU 264 -14.582 26.755 61.537 1.00 63.08 C ATOM 109 O GLU 264 -14.652 26.904 62.755 1.00 63.08 O ATOM 110 N LEU 265 -15.630 26.982 60.726 1.00116.37 N ATOM 111 CA LEU 265 -16.893 27.437 61.228 1.00116.37 C ATOM 112 CB LEU 265 -17.883 27.732 60.081 1.00116.37 C ATOM 113 CG LEU 265 -19.309 28.144 60.506 1.00116.37 C ATOM 114 CD1 LEU 265 -20.121 26.929 60.970 1.00116.37 C ATOM 115 CD2 LEU 265 -19.289 29.274 61.551 1.00116.37 C ATOM 116 C LEU 265 -17.467 26.399 62.144 1.00116.37 C ATOM 117 O LEU 265 -17.991 26.726 63.208 1.00116.37 O ATOM 118 N LYS 266 -17.361 25.109 61.777 1.00 79.23 N ATOM 119 CA LYS 266 -17.965 24.094 62.592 1.00 79.23 C ATOM 120 CB LYS 266 -17.864 22.680 61.993 1.00 79.23 C ATOM 121 CG LYS 266 -16.440 22.147 61.861 1.00 79.23 C ATOM 122 CD LYS 266 -16.359 20.670 61.471 1.00 79.23 C ATOM 123 CE LYS 266 -14.935 20.192 61.185 1.00 79.23 C ATOM 124 NZ LYS 266 -14.933 18.745 60.875 1.00 79.23 N ATOM 125 C LYS 266 -17.332 24.088 63.949 1.00 79.23 C ATOM 126 O LYS 266 -18.019 23.934 64.958 1.00 79.23 O ATOM 127 N ARG 267 -15.999 24.255 64.013 1.00133.69 N ATOM 128 CA ARG 267 -15.337 24.226 65.283 1.00133.69 C ATOM 129 CB ARG 267 -13.807 24.256 65.170 1.00133.69 C ATOM 130 CG ARG 267 -13.114 23.766 66.440 1.00133.69 C ATOM 131 CD ARG 267 -11.599 23.643 66.282 1.00133.69 C ATOM 132 NE ARG 267 -11.362 22.740 65.121 1.00133.69 N ATOM 133 CZ ARG 267 -10.514 23.126 64.124 1.00133.69 C ATOM 134 NH1 ARG 267 -9.862 24.322 64.212 1.00133.69 N ATOM 135 NH2 ARG 267 -10.327 22.320 63.038 1.00133.69 N ATOM 136 C ARG 267 -15.791 25.407 66.083 1.00133.69 C ATOM 137 O ARG 267 -15.973 25.309 67.295 1.00133.69 O ATOM 138 N HIS 268 -15.989 26.560 65.412 1.00 57.41 N ATOM 139 CA HIS 268 -16.425 27.770 66.055 1.00 57.41 C ATOM 140 ND1 HIS 268 -16.428 31.072 66.503 1.00 57.41 N ATOM 141 CG HIS 268 -17.124 30.185 65.712 1.00 57.41 C ATOM 142 CB HIS 268 -16.535 28.956 65.081 1.00 57.41 C ATOM 143 NE2 HIS 268 -18.516 31.831 66.382 1.00 57.41 N ATOM 144 CD2 HIS 268 -18.397 30.664 65.650 1.00 57.41 C ATOM 145 CE1 HIS 268 -17.308 32.036 66.876 1.00 57.41 C ATOM 146 C HIS 268 -17.784 27.561 66.647 1.00 57.41 C ATOM 147 O HIS 268 -18.059 28.013 67.755 1.00 57.41 O ATOM 148 N GLN 269 -18.668 26.841 65.936 1.00 49.28 N ATOM 149 CA GLN 269 -20.014 26.634 66.396 1.00 49.28 C ATOM 150 CB GLN 269 -20.845 25.761 65.445 1.00 49.28 C ATOM 151 CG GLN 269 -21.114 26.417 64.091 1.00 49.28 C ATOM 152 CD GLN 269 -21.844 25.392 63.236 1.00 49.28 C ATOM 153 OE1 GLN 269 -21.821 24.197 63.526 1.00 49.28 O ATOM 154 NE2 GLN 269 -22.514 25.865 62.151 1.00 49.28 N ATOM 155 C GLN 269 -19.957 25.937 67.717 1.00 49.28 C ATOM 156 O GLN 269 -20.812 26.145 68.576 1.00 49.28 O ATOM 157 N ARG 270 -18.934 25.090 67.914 1.00111.45 N ATOM 158 CA ARG 270 -18.797 24.335 69.125 1.00111.45 C ATOM 159 CB ARG 270 -17.561 23.419 69.110 1.00111.45 C ATOM 160 CG ARG 270 -17.726 22.253 68.136 1.00111.45 C ATOM 161 CD ARG 270 -16.514 21.328 68.037 1.00111.45 C ATOM 162 NE ARG 270 -16.952 20.154 67.234 1.00111.45 N ATOM 163 CZ ARG 270 -16.266 19.773 66.119 1.00111.45 C ATOM 164 NH1 ARG 270 -15.164 20.470 65.718 1.00111.45 N ATOM 165 NH2 ARG 270 -16.694 18.695 65.400 1.00111.45 N ATOM 166 C ARG 270 -18.673 25.262 70.295 1.00111.45 C ATOM 167 O ARG 270 -19.168 24.954 71.379 1.00111.45 O ATOM 168 N ILE 271 -18.009 26.422 70.126 1.00 91.60 N ATOM 169 CA ILE 271 -17.830 27.270 71.270 1.00 91.60 C ATOM 170 CB ILE 271 -17.027 28.515 71.003 1.00 91.60 C ATOM 171 CG1 ILE 271 -17.776 29.462 70.054 1.00 91.60 C ATOM 172 CG2 ILE 271 -15.646 28.085 70.480 1.00 91.60 C ATOM 173 CD1 ILE 271 -17.131 30.840 69.922 1.00 91.60 C ATOM 174 C ILE 271 -19.172 27.705 71.787 1.00 91.60 C ATOM 175 O ILE 271 -19.400 27.681 72.995 1.00 91.60 O ATOM 176 N HIS 272 -20.107 28.108 70.900 1.00 49.50 N ATOM 177 CA HIS 272 -21.379 28.574 71.386 1.00 49.50 C ATOM 178 ND1 HIS 272 -22.172 31.576 70.187 1.00 49.50 N ATOM 179 CG HIS 272 -21.946 30.338 69.624 1.00 49.50 C ATOM 180 CB HIS 272 -22.336 29.042 70.273 1.00 49.50 C ATOM 181 NE2 HIS 272 -21.202 31.938 68.218 1.00 49.50 N ATOM 182 CD2 HIS 272 -21.354 30.579 68.422 1.00 49.50 C ATOM 183 CE1 HIS 272 -21.708 32.496 69.305 1.00 49.50 C ATOM 184 C HIS 272 -22.082 27.465 72.107 1.00 49.50 C ATOM 185 O HIS 272 -22.575 27.650 73.220 1.00 49.50 O ATOM 186 N ALA 273 -22.128 26.272 71.490 1.00 22.27 N ATOM 187 CA ALA 273 -22.829 25.156 72.056 1.00 22.27 C ATOM 188 CB ALA 273 -22.770 23.905 71.166 1.00 22.27 C ATOM 189 C ALA 273 -22.190 24.810 73.359 1.00 22.27 C ATOM 190 O ALA 273 -22.870 24.490 74.333 1.00 22.27 O ATOM 191 N GLY 274 -20.849 24.884 73.414 1.00 11.55 N ATOM 192 CA GLY 274 -20.166 24.526 74.619 1.00 11.55 C ATOM 193 C GLY 274 -19.864 23.069 74.513 1.00 11.55 C ATOM 194 O GLY 274 -19.422 22.430 75.468 1.00 11.55 O ATOM 195 N LYS 275 -20.113 22.505 73.317 1.00103.91 N ATOM 196 CA LYS 275 -19.852 21.117 73.085 1.00103.91 C ATOM 197 CB LYS 275 -20.247 20.658 71.672 1.00103.91 C ATOM 198 CG LYS 275 -21.734 20.843 71.361 1.00103.91 C ATOM 199 CD LYS 275 -22.662 20.114 72.335 1.00103.91 C ATOM 200 CE LYS 275 -23.454 21.047 73.253 1.00103.91 C ATOM 201 NZ LYS 275 -22.575 21.611 74.300 1.00103.91 N ATOM 202 C LYS 275 -18.347 20.919 73.225 1.00103.91 C ATOM 203 O LYS 275 -17.590 21.535 72.426 1.00103.91 O ATOM 204 OXT LYS 275 -17.936 20.149 74.133 1.00103.91 O