EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:09:50 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.2369 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1487.23914 REMARK 6 GA341 score: 0.99792 REMARK 6 Normalized DOPE score: -0.80771 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 245 -2.110 30.011 47.031 1.00 63.95 N ATOM 2 CA GLU 245 -2.439 31.417 46.689 1.00 63.95 C ATOM 3 CB GLU 245 -2.871 31.532 45.223 1.00 63.95 C ATOM 4 CG GLU 245 -1.757 31.245 44.219 1.00 63.95 C ATOM 5 CD GLU 245 -2.376 31.339 42.832 1.00 63.95 C ATOM 6 OE1 GLU 245 -3.397 30.639 42.592 1.00 63.95 O ATOM 7 OE2 GLU 245 -1.838 32.114 41.998 1.00 63.95 O ATOM 8 C GLU 245 -3.597 31.886 47.500 1.00 63.95 C ATOM 9 O GLU 245 -4.503 31.112 47.806 1.00 63.95 O ATOM 10 N LYS 246 -3.594 33.172 47.892 1.00106.87 N ATOM 11 CA LYS 246 -4.709 33.659 48.646 1.00106.87 C ATOM 12 CB LYS 246 -4.396 33.687 50.151 1.00106.87 C ATOM 13 CG LYS 246 -4.219 32.276 50.723 1.00106.87 C ATOM 14 CD LYS 246 -3.413 32.227 52.021 1.00106.87 C ATOM 15 CE LYS 246 -1.948 31.839 51.815 1.00106.87 C ATOM 16 NZ LYS 246 -1.291 32.796 50.898 1.00106.87 N ATOM 17 C LYS 246 -5.007 35.041 48.148 1.00106.87 C ATOM 18 O LYS 246 -4.418 36.036 48.571 1.00106.87 O ATOM 19 N PRO 247 -5.923 35.071 47.220 1.00123.43 N ATOM 20 CA PRO 247 -6.341 36.282 46.558 1.00123.43 C ATOM 21 CD PRO 247 -6.157 33.894 46.403 1.00123.43 C ATOM 22 CB PRO 247 -7.011 35.837 45.254 1.00123.43 C ATOM 23 CG PRO 247 -7.256 34.328 45.426 1.00123.43 C ATOM 24 C PRO 247 -7.171 37.260 47.337 1.00123.43 C ATOM 25 O PRO 247 -7.201 38.429 46.953 1.00123.43 O ATOM 26 N TYR 248 -7.852 36.845 48.420 1.00 64.60 N ATOM 27 CA TYR 248 -8.723 37.801 49.041 1.00 64.60 C ATOM 28 CB TYR 248 -10.134 37.252 49.310 1.00 64.60 C ATOM 29 CG TYR 248 -10.704 36.920 47.974 1.00 64.60 C ATOM 30 CD1 TYR 248 -11.349 37.882 47.233 1.00 64.60 C ATOM 31 CD2 TYR 248 -10.581 35.650 47.459 1.00 64.60 C ATOM 32 CE1 TYR 248 -11.873 37.581 45.999 1.00 64.60 C ATOM 33 CE2 TYR 248 -11.103 35.342 46.224 1.00 64.60 C ATOM 34 CZ TYR 248 -11.750 36.310 45.492 1.00 64.60 C ATOM 35 OH TYR 248 -12.291 36.006 44.224 1.00 64.60 O ATOM 36 C TYR 248 -8.128 38.219 50.341 1.00 64.60 C ATOM 37 O TYR 248 -7.834 37.394 51.203 1.00 64.60 O ATOM 38 N THR 249 -7.938 39.543 50.504 1.00106.46 N ATOM 39 CA THR 249 -7.339 40.046 51.702 1.00106.46 C ATOM 40 CB THR 249 -6.117 40.887 51.455 1.00106.46 C ATOM 41 OG1 THR 249 -6.447 42.025 50.672 1.00106.46 O ATOM 42 CG2 THR 249 -5.063 40.027 50.735 1.00106.46 C ATOM 43 C THR 249 -8.338 40.890 52.424 1.00106.46 C ATOM 44 O THR 249 -9.133 41.605 51.812 1.00106.46 O ATOM 45 N CYS 250 -8.333 40.790 53.769 1.00 45.23 N ATOM 46 CA CYS 250 -9.213 41.577 54.584 1.00 45.23 C ATOM 47 CB CYS 250 -9.271 41.111 56.050 1.00 45.23 C ATOM 48 SG CYS 250 -10.307 42.175 57.100 1.00 45.23 S ATOM 49 C CYS 250 -8.704 42.979 54.572 1.00 45.23 C ATOM 50 O CYS 250 -7.526 43.237 54.810 1.00 45.23 O ATOM 51 N THR 251 -9.595 43.944 54.293 1.00109.37 N ATOM 52 CA THR 251 -9.164 45.305 54.229 1.00109.37 C ATOM 53 CB THR 251 -10.234 46.231 53.733 1.00109.37 C ATOM 54 OG1 THR 251 -11.366 46.175 54.586 1.00109.37 O ATOM 55 CG2 THR 251 -10.617 45.811 52.302 1.00109.37 C ATOM 56 C THR 251 -8.719 45.756 55.583 1.00109.37 C ATOM 57 O THR 251 -7.754 46.510 55.699 1.00109.37 O ATOM 58 N GLU 252 -9.425 45.343 56.651 1.00 68.62 N ATOM 59 CA GLU 252 -9.022 45.861 57.924 1.00 68.62 C ATOM 60 CB GLU 252 -10.006 45.488 59.040 1.00 68.62 C ATOM 61 CG GLU 252 -9.656 46.141 60.376 1.00 68.62 C ATOM 62 CD GLU 252 -10.551 45.539 61.443 1.00 68.62 C ATOM 63 OE1 GLU 252 -11.605 44.946 61.087 1.00 68.62 O ATOM 64 OE2 GLU 252 -10.180 45.666 62.639 1.00 68.62 O ATOM 65 C GLU 252 -7.664 45.368 58.361 1.00 68.62 C ATOM 66 O GLU 252 -6.733 46.161 58.503 1.00 68.62 O ATOM 67 N CYS 253 -7.537 44.038 58.595 1.00 65.89 N ATOM 68 CA CYS 253 -6.343 43.413 59.124 1.00 65.89 C ATOM 69 CB CYS 253 -6.634 42.052 59.783 1.00 65.89 C ATOM 70 SG CYS 253 -7.348 40.845 58.630 1.00 65.89 S ATOM 71 C CYS 253 -5.247 43.234 58.113 1.00 65.89 C ATOM 72 O CYS 253 -4.072 43.414 58.428 1.00 65.89 O ATOM 73 N GLY 254 -5.592 42.860 56.865 1.00 30.64 N ATOM 74 CA GLY 254 -4.574 42.640 55.876 1.00 30.64 C ATOM 75 C GLY 254 -4.311 41.168 55.710 1.00 30.64 C ATOM 76 O GLY 254 -3.482 40.781 54.887 1.00 30.64 O ATOM 77 N LYS 255 -4.999 40.295 56.478 1.00 69.46 N ATOM 78 CA LYS 255 -4.753 38.884 56.326 1.00 69.46 C ATOM 79 CB LYS 255 -5.293 38.007 57.475 1.00 69.46 C ATOM 80 CG LYS 255 -4.964 36.527 57.265 1.00 69.46 C ATOM 81 CD LYS 255 -5.070 35.637 58.509 1.00 69.46 C ATOM 82 CE LYS 255 -4.679 34.187 58.211 1.00 69.46 C ATOM 83 NZ LYS 255 -4.339 33.474 59.462 1.00 69.46 N ATOM 84 C LYS 255 -5.386 38.418 55.047 1.00 69.46 C ATOM 85 O LYS 255 -6.390 38.973 54.604 1.00 69.46 O ATOM 86 N SER 256 -4.808 37.376 54.408 1.00 99.26 N ATOM 87 CA SER 256 -5.355 36.951 53.146 1.00 99.26 C ATOM 88 CB SER 256 -4.372 37.104 51.973 1.00 99.26 C ATOM 89 OG SER 256 -3.160 36.423 52.253 1.00 99.26 O ATOM 90 C SER 256 -5.832 35.528 53.217 1.00 99.26 C ATOM 91 O SER 256 -5.325 34.730 54.004 1.00 99.26 O ATOM 92 N PHE 257 -6.850 35.187 52.384 1.00153.66 N ATOM 93 CA PHE 257 -7.462 33.878 52.391 1.00153.66 C ATOM 94 CB PHE 257 -8.879 33.904 52.998 1.00153.66 C ATOM 95 CG PHE 257 -8.775 34.286 54.438 1.00153.66 C ATOM 96 CD1 PHE 257 -8.736 35.612 54.818 1.00153.66 C ATOM 97 CD2 PHE 257 -8.703 33.317 55.413 1.00153.66 C ATOM 98 CE1 PHE 257 -8.640 35.965 56.145 1.00153.66 C ATOM 99 CE2 PHE 257 -8.608 33.663 56.742 1.00153.66 C ATOM 100 CZ PHE 257 -8.575 34.987 57.110 1.00153.66 C ATOM 101 C PHE 257 -7.619 33.376 50.979 1.00153.66 C ATOM 102 O PHE 257 -7.712 34.151 50.030 1.00153.66 O ATOM 103 N ARG 258 -7.603 32.039 50.792 1.00148.80 N ATOM 104 CA ARG 258 -7.806 31.500 49.474 1.00148.80 C ATOM 105 CB ARG 258 -7.415 30.028 49.269 1.00148.80 C ATOM 106 CG ARG 258 -7.423 29.692 47.772 1.00148.80 C ATOM 107 CD ARG 258 -6.873 28.313 47.402 1.00148.80 C ATOM 108 NE ARG 258 -8.022 27.441 47.027 1.00148.80 N ATOM 109 CZ ARG 258 -8.084 26.905 45.772 1.00148.80 C ATOM 110 NH1 ARG 258 -7.113 27.201 44.857 1.00148.80 N ATOM 111 NH2 ARG 258 -9.107 26.071 45.429 1.00148.80 N ATOM 112 C ARG 258 -9.243 31.624 49.078 1.00148.80 C ATOM 113 O ARG 258 -9.554 31.772 47.895 1.00148.80 O ATOM 114 N PHE 259 -10.159 31.532 50.065 1.00 52.43 N ATOM 115 CA PHE 259 -11.562 31.513 49.760 1.00 52.43 C ATOM 116 CB PHE 259 -12.322 30.363 50.448 1.00 52.43 C ATOM 117 CG PHE 259 -12.036 29.097 49.716 1.00 52.43 C ATOM 118 CD1 PHE 259 -10.956 28.310 50.044 1.00 52.43 C ATOM 119 CD2 PHE 259 -12.858 28.704 48.687 1.00 52.43 C ATOM 120 CE1 PHE 259 -10.706 27.146 49.355 1.00 52.43 C ATOM 121 CE2 PHE 259 -12.614 27.542 47.995 1.00 52.43 C ATOM 122 CZ PHE 259 -11.539 26.757 48.334 1.00 52.43 C ATOM 123 C PHE 259 -12.236 32.781 50.190 1.00 52.43 C ATOM 124 O PHE 259 -11.950 33.352 51.240 1.00 52.43 O ATOM 125 N LYS 260 -13.185 33.236 49.351 1.00 73.44 N ATOM 126 CA LYS 260 -13.957 34.424 49.569 1.00 73.44 C ATOM 127 CB LYS 260 -14.906 34.693 48.393 1.00 73.44 C ATOM 128 CG LYS 260 -15.483 36.105 48.355 1.00 73.44 C ATOM 129 CD LYS 260 -16.152 36.414 47.017 1.00 73.44 C ATOM 130 CE LYS 260 -15.236 36.150 45.817 1.00 73.44 C ATOM 131 NZ LYS 260 -15.961 36.368 44.544 1.00 73.44 N ATOM 132 C LYS 260 -14.806 34.237 50.789 1.00 73.44 C ATOM 133 O LYS 260 -14.933 35.136 51.618 1.00 73.44 O ATOM 134 N SER 261 -15.416 33.046 50.927 1.00 26.03 N ATOM 135 CA SER 261 -16.306 32.770 52.019 1.00 26.03 C ATOM 136 CB SER 261 -16.972 31.385 51.914 1.00 26.03 C ATOM 137 OG SER 261 -16.000 30.360 52.068 1.00 26.03 O ATOM 138 C SER 261 -15.541 32.794 53.305 1.00 26.03 C ATOM 139 O SER 261 -16.044 33.273 54.319 1.00 26.03 O ATOM 140 N THR 262 -14.297 32.277 53.295 1.00 98.48 N ATOM 141 CA THR 262 -13.533 32.198 54.508 1.00 98.48 C ATOM 142 CB THR 262 -12.211 31.499 54.350 1.00 98.48 C ATOM 143 OG1 THR 262 -11.360 32.231 53.484 1.00 98.48 O ATOM 144 CG2 THR 262 -12.456 30.087 53.793 1.00 98.48 C ATOM 145 C THR 262 -13.252 33.579 55.000 1.00 98.48 C ATOM 146 O THR 262 -13.325 33.838 56.199 1.00 98.48 O ATOM 147 N LEU 263 -12.914 34.508 54.084 1.00106.58 N ATOM 148 CA LEU 263 -12.614 35.848 54.493 1.00106.58 C ATOM 149 CB LEU 263 -12.117 36.736 53.334 1.00106.58 C ATOM 150 CG LEU 263 -11.784 38.194 53.723 1.00106.58 C ATOM 151 CD1 LEU 263 -13.050 39.041 53.935 1.00106.58 C ATOM 152 CD2 LEU 263 -10.849 38.250 54.940 1.00106.58 C ATOM 153 C LEU 263 -13.845 36.454 55.092 1.00106.58 C ATOM 154 O LEU 263 -13.769 37.183 56.076 1.00106.58 O ATOM 155 N LYS 264 -15.018 36.151 54.513 1.00 28.60 N ATOM 156 CA LYS 264 -16.258 36.716 54.965 1.00 28.60 C ATOM 157 CB LYS 264 -17.450 36.216 54.133 1.00 28.60 C ATOM 158 CG LYS 264 -17.351 36.599 52.655 1.00 28.60 C ATOM 159 CD LYS 264 -18.334 35.847 51.752 1.00 28.60 C ATOM 160 CE LYS 264 -18.248 36.242 50.272 1.00 28.60 C ATOM 161 NZ LYS 264 -19.250 35.486 49.491 1.00 28.60 N ATOM 162 C LYS 264 -16.467 36.307 56.388 1.00 28.60 C ATOM 163 O LYS 264 -16.897 37.107 57.218 1.00 28.60 O ATOM 164 N GLN 265 -16.159 35.039 56.711 1.00 64.03 N ATOM 165 CA GLN 265 -16.324 34.566 58.053 1.00 64.03 C ATOM 166 CB GLN 265 -16.002 33.065 58.178 1.00 64.03 C ATOM 167 CG GLN 265 -16.159 32.487 59.588 1.00 64.03 C ATOM 168 CD GLN 265 -17.638 32.404 59.935 1.00 64.03 C ATOM 169 OE1 GLN 265 -18.337 33.414 59.999 1.00 64.03 O ATOM 170 NE2 GLN 265 -18.128 31.158 60.176 1.00 64.03 N ATOM 171 C GLN 265 -15.374 35.316 58.934 1.00 64.03 C ATOM 172 O GLN 265 -15.731 35.716 60.042 1.00 64.03 O ATOM 173 N HIS 266 -14.136 35.538 58.452 1.00 49.98 N ATOM 174 CA HIS 266 -13.133 36.202 59.236 1.00 49.98 C ATOM 175 ND1 HIS 266 -10.102 36.414 60.460 1.00 49.98 N ATOM 176 CG HIS 266 -10.725 36.965 59.363 1.00 49.98 C ATOM 177 CB HIS 266 -11.766 36.261 58.539 1.00 49.98 C ATOM 178 NE2 HIS 266 -9.250 38.453 60.206 1.00 49.98 N ATOM 179 CD2 HIS 266 -10.193 38.212 59.224 1.00 49.98 C ATOM 180 CE1 HIS 266 -9.230 37.346 60.926 1.00 49.98 C ATOM 181 C HIS 266 -13.542 37.607 59.532 1.00 49.98 C ATOM 182 O HIS 266 -13.415 38.064 60.667 1.00 49.98 O ATOM 183 N MET 267 -14.032 38.349 58.524 1.00 69.99 N ATOM 184 CA MET 267 -14.395 39.695 58.841 1.00 69.99 C ATOM 185 CB MET 267 -14.280 40.679 57.664 1.00 69.99 C ATOM 186 CG MET 267 -15.195 40.336 56.491 1.00 69.99 C ATOM 187 SD MET 267 -15.319 41.631 55.223 1.00 69.99 S ATOM 188 CE MET 267 -16.590 42.557 56.130 1.00 69.99 C ATOM 189 C MET 267 -15.840 39.685 59.306 1.00 69.99 C ATOM 190 O MET 267 -16.334 40.784 59.675 1.00 69.99 O ATOM 191 OXT MET 267 -16.460 38.589 59.309 1.00 69.99 O