EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:30 REMARK 6 MODELLER OBJECTIVE FUNCTION: 108.9613 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 51.724 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1863.15076 REMARK 6 GA341 score: 0.99774 REMARK 6 Normalized DOPE score: -0.30983 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 51.7% ATOM 1 N GLU 259 2.497 23.700 44.616 1.00101.00 N ATOM 2 CA GLU 259 1.050 23.978 44.449 1.00101.00 C ATOM 3 CB GLU 259 0.449 23.055 43.372 1.00101.00 C ATOM 4 CG GLU 259 1.074 23.189 41.981 1.00101.00 C ATOM 5 CD GLU 259 0.602 24.484 41.341 1.00101.00 C ATOM 6 OE1 GLU 259 -0.603 24.822 41.493 1.00101.00 O ATOM 7 OE2 GLU 259 1.447 25.152 40.683 1.00101.00 O ATOM 8 C GLU 259 0.362 23.678 45.737 1.00101.00 C ATOM 9 O GLU 259 0.966 23.130 46.656 1.00101.00 O ATOM 10 N LYS 260 -0.922 24.066 45.852 1.00119.91 N ATOM 11 CA LYS 260 -1.651 23.732 47.040 1.00119.91 C ATOM 12 CB LYS 260 -2.372 24.935 47.679 1.00119.91 C ATOM 13 CG LYS 260 -1.436 26.095 48.018 1.00119.91 C ATOM 14 CD LYS 260 -0.979 26.892 46.792 1.00119.91 C ATOM 15 CE LYS 260 0.177 27.855 47.074 1.00119.91 C ATOM 16 NZ LYS 260 -0.166 28.752 48.201 1.00119.91 N ATOM 17 C LYS 260 -2.724 22.789 46.597 1.00119.91 C ATOM 18 O LYS 260 -3.782 23.211 46.136 1.00119.91 O ATOM 19 N PRO 261 -2.467 21.520 46.714 1.00125.08 N ATOM 20 CA PRO 261 -3.411 20.527 46.278 1.00125.08 C ATOM 21 CD PRO 261 -1.106 21.012 46.718 1.00125.08 C ATOM 22 CB PRO 261 -2.626 19.217 46.163 1.00125.08 C ATOM 23 CG PRO 261 -1.284 19.495 46.864 1.00125.08 C ATOM 24 C PRO 261 -4.652 20.408 47.108 1.00125.08 C ATOM 25 O PRO 261 -5.664 19.950 46.581 1.00125.08 O ATOM 26 N PHE 262 -4.621 20.802 48.395 1.00 62.88 N ATOM 27 CA PHE 262 -5.785 20.581 49.208 1.00 62.88 C ATOM 28 CB PHE 262 -5.463 20.095 50.628 1.00 62.88 C ATOM 29 CG PHE 262 -5.009 18.684 50.541 1.00 62.88 C ATOM 30 CD1 PHE 262 -5.932 17.666 50.532 1.00 62.88 C ATOM 31 CD2 PHE 262 -3.670 18.381 50.470 1.00 62.88 C ATOM 32 CE1 PHE 262 -5.524 16.357 50.449 1.00 62.88 C ATOM 33 CE2 PHE 262 -3.255 17.073 50.388 1.00 62.88 C ATOM 34 CZ PHE 262 -4.184 16.061 50.380 1.00 62.88 C ATOM 35 C PHE 262 -6.547 21.851 49.360 1.00 62.88 C ATOM 36 O PHE 262 -6.024 22.844 49.868 1.00 62.88 O ATOM 37 N THR 263 -7.834 21.832 48.958 1.00 32.32 N ATOM 38 CA THR 263 -8.641 23.011 49.051 1.00 32.32 C ATOM 39 CB THR 263 -9.250 23.409 47.741 1.00 32.32 C ATOM 40 OG1 THR 263 -8.225 23.664 46.791 1.00 32.32 O ATOM 41 CG2 THR 263 -10.107 24.667 47.950 1.00 32.32 C ATOM 42 C THR 263 -9.753 22.753 50.018 1.00 32.32 C ATOM 43 O THR 263 -10.319 21.662 50.061 1.00 32.32 O ATOM 44 N CYS 264 -10.063 23.770 50.849 1.00 45.78 N ATOM 45 CA CYS 264 -11.110 23.692 51.829 1.00 45.78 C ATOM 46 CB CYS 264 -11.016 24.821 52.876 1.00 45.78 C ATOM 47 SG CYS 264 -12.323 24.762 54.139 1.00 45.78 S ATOM 48 C CYS 264 -12.424 23.819 51.127 1.00 45.78 C ATOM 49 O CYS 264 -12.637 24.730 50.333 1.00 45.78 O ATOM 50 N THR 265 -13.351 22.896 51.435 1.00 36.61 N ATOM 51 CA THR 265 -14.639 22.887 50.812 1.00 36.61 C ATOM 52 CB THR 265 -15.465 21.726 51.278 1.00 36.61 C ATOM 53 OG1 THR 265 -14.786 20.508 51.009 1.00 36.61 O ATOM 54 CG2 THR 265 -16.815 21.749 50.545 1.00 36.61 C ATOM 55 C THR 265 -15.372 24.133 51.199 1.00 36.61 C ATOM 56 O THR 265 -16.017 24.770 50.365 1.00 36.61 O ATOM 57 N GLN 266 -15.315 24.494 52.496 1.00108.71 N ATOM 58 CA GLN 266 -16.092 25.610 52.964 1.00108.71 C ATOM 59 CB GLN 266 -16.053 25.699 54.502 1.00108.71 C ATOM 60 CG GLN 266 -16.858 26.857 55.097 1.00108.71 C ATOM 61 CD GLN 266 -18.333 26.525 54.946 1.00108.71 C ATOM 62 OE1 GLN 266 -18.695 25.540 54.304 1.00108.71 O ATOM 63 NE2 GLN 266 -19.211 27.370 55.548 1.00108.71 N ATOM 64 C GLN 266 -15.620 26.940 52.438 1.00108.71 C ATOM 65 O GLN 266 -16.372 27.658 51.781 1.00108.71 O ATOM 66 N CYS 267 -14.360 27.292 52.765 1.00118.65 N ATOM 67 CA CYS 267 -13.694 28.535 52.469 1.00118.65 C ATOM 68 CB CYS 267 -12.489 28.705 53.403 1.00118.65 C ATOM 69 SG CYS 267 -11.551 30.223 53.113 1.00118.65 S ATOM 70 C CYS 267 -13.197 28.646 51.060 1.00118.65 C ATOM 71 O CYS 267 -13.336 29.693 50.427 1.00118.65 O ATOM 72 N GLY 268 -12.592 27.568 50.526 1.00 28.02 N ATOM 73 CA GLY 268 -12.001 27.628 49.219 1.00 28.02 C ATOM 74 C GLY 268 -10.524 27.897 49.362 1.00 28.02 C ATOM 75 O GLY 268 -9.817 28.031 48.364 1.00 28.02 O ATOM 76 N LYS 269 -10.013 27.987 50.609 1.00 59.04 N ATOM 77 CA LYS 269 -8.611 28.254 50.816 1.00 59.04 C ATOM 78 CB LYS 269 -8.285 28.700 52.252 1.00 59.04 C ATOM 79 CG LYS 269 -6.888 29.306 52.403 1.00 59.04 C ATOM 80 CD LYS 269 -6.711 30.115 53.689 1.00 59.04 C ATOM 81 CE LYS 269 -5.314 30.723 53.828 1.00 59.04 C ATOM 82 NZ LYS 269 -5.289 31.701 54.939 1.00 59.04 N ATOM 83 C LYS 269 -7.831 27.005 50.517 1.00 59.04 C ATOM 84 O LYS 269 -8.292 25.896 50.784 1.00 59.04 O ATOM 85 N SER 270 -6.610 27.154 49.956 1.00 51.93 N ATOM 86 CA SER 270 -5.848 25.994 49.575 1.00 51.93 C ATOM 87 CB SER 270 -5.369 26.030 48.115 1.00 51.93 C ATOM 88 OG SER 270 -6.482 25.974 47.235 1.00 51.93 O ATOM 89 C SER 270 -4.637 25.867 50.452 1.00 51.93 C ATOM 90 O SER 270 -4.109 26.857 50.961 1.00 51.93 O ATOM 91 N PHE 271 -4.171 24.613 50.654 1.00144.98 N ATOM 92 CA PHE 271 -3.052 24.366 51.524 1.00144.98 C ATOM 93 CB PHE 271 -3.469 23.676 52.834 1.00144.98 C ATOM 94 CG PHE 271 -4.367 24.595 53.590 1.00144.98 C ATOM 95 CD1 PHE 271 -5.717 24.611 53.327 1.00144.98 C ATOM 96 CD2 PHE 271 -3.864 25.445 54.550 1.00144.98 C ATOM 97 CE1 PHE 271 -6.556 25.457 54.014 1.00144.98 C ATOM 98 CE2 PHE 271 -4.698 26.291 55.244 1.00144.98 C ATOM 99 CZ PHE 271 -6.046 26.296 54.976 1.00144.98 C ATOM 100 C PHE 271 -2.102 23.427 50.846 1.00144.98 C ATOM 101 O PHE 271 -2.487 22.594 50.025 1.00144.98 O ATOM 102 N ILE 272 -0.803 23.578 51.168 1.00 92.79 N ATOM 103 CA ILE 272 0.232 22.729 50.662 1.00 92.79 C ATOM 104 CB ILE 272 1.614 23.237 50.943 1.00 92.79 C ATOM 105 CG1 ILE 272 2.628 22.421 50.129 1.00 92.79 C ATOM 106 CG2 ILE 272 1.855 23.204 52.461 1.00 92.79 C ATOM 107 CD1 ILE 272 4.023 23.037 50.081 1.00 92.79 C ATOM 108 C ILE 272 0.099 21.363 51.264 1.00 92.79 C ATOM 109 O ILE 272 0.349 20.360 50.597 1.00 92.79 O ATOM 110 N CYS 273 -0.272 21.284 52.558 1.00 75.40 N ATOM 111 CA CYS 273 -0.310 19.991 53.181 1.00 75.40 C ATOM 112 CB CYS 273 0.601 19.892 54.412 1.00 75.40 C ATOM 113 SG CYS 273 0.656 18.212 55.087 1.00 75.40 S ATOM 114 C CYS 273 -1.698 19.650 53.631 1.00 75.40 C ATOM 115 O CYS 273 -2.479 20.511 54.032 1.00 75.40 O ATOM 116 N SER 274 -2.016 18.339 53.566 1.00 69.78 N ATOM 117 CA SER 274 -3.295 17.793 53.916 1.00 69.78 C ATOM 118 CB SER 274 -3.389 16.288 53.615 1.00 69.78 C ATOM 119 OG SER 274 -4.676 15.794 53.960 1.00 69.78 O ATOM 120 C SER 274 -3.540 17.977 55.377 1.00 69.78 C ATOM 121 O SER 274 -4.645 18.318 55.795 1.00 69.78 O ATOM 122 N SER 275 -2.502 17.765 56.199 1.00 59.13 N ATOM 123 CA SER 275 -2.672 17.840 57.620 1.00 59.13 C ATOM 124 CB SER 275 -1.386 17.487 58.386 1.00 59.13 C ATOM 125 OG SER 275 -1.621 17.549 59.785 1.00 59.13 O ATOM 126 C SER 275 -3.048 19.241 57.989 1.00 59.13 C ATOM 127 O SER 275 -3.854 19.455 58.894 1.00 59.13 O ATOM 128 N SER 276 -2.471 20.234 57.288 1.00 26.42 N ATOM 129 CA SER 276 -2.732 21.611 57.586 1.00 26.42 C ATOM 130 CB SER 276 -1.868 22.575 56.753 1.00 26.42 C ATOM 131 OG SER 276 -0.493 22.369 57.039 1.00 26.42 O ATOM 132 C SER 276 -4.165 21.915 57.280 1.00 26.42 C ATOM 133 O SER 276 -4.824 22.639 58.025 1.00 26.42 O ATOM 134 N LEU 277 -4.688 21.365 56.169 1.00105.10 N ATOM 135 CA LEU 277 -6.036 21.651 55.776 1.00105.10 C ATOM 136 CB LEU 277 -6.414 21.001 54.427 1.00105.10 C ATOM 137 CG LEU 277 -7.717 21.513 53.760 1.00105.10 C ATOM 138 CD1 LEU 277 -8.030 20.721 52.485 1.00105.10 C ATOM 139 CD2 LEU 277 -8.922 21.548 54.709 1.00105.10 C ATOM 140 C LEU 277 -6.938 21.097 56.837 1.00105.10 C ATOM 141 O LEU 277 -7.900 21.745 57.245 1.00105.10 O ATOM 142 N ASN 278 -6.621 19.890 57.341 1.00 80.73 N ATOM 143 CA ASN 278 -7.451 19.224 58.306 1.00 80.73 C ATOM 144 CB ASN 278 -6.877 17.868 58.737 1.00 80.73 C ATOM 145 CG ASN 278 -7.972 17.080 59.448 1.00 80.73 C ATOM 146 OD1 ASN 278 -8.418 16.043 58.958 1.00 80.73 O ATOM 147 ND2 ASN 278 -8.420 17.579 60.632 1.00 80.73 N ATOM 148 C ASN 278 -7.575 20.084 59.524 1.00 80.73 C ATOM 149 O ASN 278 -8.652 20.202 60.105 1.00 80.73 O ATOM 150 N LEU 279 -6.466 20.708 59.955 1.00116.00 N ATOM 151 CA LEU 279 -6.497 21.547 61.118 1.00116.00 C ATOM 152 CB LEU 279 -5.100 22.101 61.468 1.00116.00 C ATOM 153 CG LEU 279 -5.076 23.005 62.713 1.00116.00 C ATOM 154 CD1 LEU 279 -5.435 22.217 63.977 1.00116.00 C ATOM 155 CD2 LEU 279 -3.739 23.758 62.839 1.00116.00 C ATOM 156 C LEU 279 -7.396 22.709 60.819 1.00116.00 C ATOM 157 O LEU 279 -8.186 23.142 61.658 1.00116.00 O ATOM 158 N HIS 280 -7.299 23.228 59.580 1.00 63.35 N ATOM 159 CA HIS 280 -8.048 24.365 59.124 1.00 63.35 C ATOM 160 ND1 HIS 280 -8.539 27.108 57.421 1.00 63.35 N ATOM 161 CG HIS 280 -8.596 25.775 57.077 1.00 63.35 C ATOM 162 CB HIS 280 -7.715 24.710 57.659 1.00 63.35 C ATOM 163 NE2 HIS 280 -10.133 26.914 55.881 1.00 63.35 N ATOM 164 CD2 HIS 280 -9.574 25.674 56.135 1.00 63.35 C ATOM 165 CE1 HIS 280 -9.480 27.743 56.677 1.00 63.35 C ATOM 166 C HIS 280 -9.517 24.088 59.173 1.00 63.35 C ATOM 167 O HIS 280 -10.292 24.922 59.631 1.00 63.35 O ATOM 168 N ILE 281 -9.929 22.890 58.726 1.00 84.50 N ATOM 169 CA ILE 281 -11.327 22.578 58.644 1.00 84.50 C ATOM 170 CB ILE 281 -11.583 21.211 58.075 1.00 84.50 C ATOM 171 CG1 ILE 281 -13.032 21.094 57.583 1.00 84.50 C ATOM 172 CG2 ILE 281 -11.208 20.161 59.129 1.00 84.50 C ATOM 173 CD1 ILE 281 -13.272 19.849 56.731 1.00 84.50 C ATOM 174 C ILE 281 -11.934 22.652 60.010 1.00 84.50 C ATOM 175 O ILE 281 -13.080 23.068 60.180 1.00 84.50 O ATOM 176 N MET 282 -11.167 22.248 61.034 1.00 40.90 N ATOM 177 CA MET 282 -11.671 22.199 62.375 1.00 40.90 C ATOM 178 CB MET 282 -10.653 21.634 63.381 1.00 40.90 C ATOM 179 CG MET 282 -10.290 20.175 63.107 1.00 40.90 C ATOM 180 SD MET 282 -9.253 19.403 64.385 1.00 40.90 S ATOM 181 CE MET 282 -7.838 20.516 64.139 1.00 40.90 C ATOM 182 C MET 282 -12.059 23.575 62.814 1.00 40.90 C ATOM 183 O MET 282 -12.999 23.725 63.588 1.00 40.90 O ATOM 184 N SER 283 -11.347 24.619 62.354 1.00 34.44 N ATOM 185 CA SER 283 -11.662 25.954 62.785 1.00 34.44 C ATOM 186 CB SER 283 -10.719 27.019 62.185 1.00 34.44 C ATOM 187 OG SER 283 -10.928 27.145 60.785 1.00 34.44 O ATOM 188 C SER 283 -13.070 26.309 62.394 1.00 34.44 C ATOM 189 O SER 283 -13.798 26.913 63.182 1.00 34.44 O ATOM 190 N HIS 284 -13.502 25.944 61.168 1.00 45.99 N ATOM 191 CA HIS 284 -14.826 26.294 60.734 1.00 45.99 C ATOM 192 ND1 HIS 284 -14.676 27.810 57.777 1.00 45.99 N ATOM 193 CG HIS 284 -14.313 26.580 58.275 1.00 45.99 C ATOM 194 CB HIS 284 -15.123 25.837 59.292 1.00 45.99 C ATOM 195 NE2 HIS 284 -12.753 27.273 56.801 1.00 45.99 N ATOM 196 CD2 HIS 284 -13.134 26.264 57.668 1.00 45.99 C ATOM 197 CE1 HIS 284 -13.708 28.179 56.901 1.00 45.99 C ATOM 198 C HIS 284 -15.829 25.630 61.622 1.00 45.99 C ATOM 199 O HIS 284 -16.731 26.278 62.150 1.00 45.99 O ATOM 200 N THR 285 -15.670 24.311 61.831 1.00 27.92 N ATOM 201 CA THR 285 -16.595 23.565 62.627 1.00 27.92 C ATOM 202 CB THR 285 -16.252 22.106 62.676 1.00 27.92 C ATOM 203 OG1 THR 285 -14.955 21.931 63.227 1.00 27.92 O ATOM 204 CG2 THR 285 -16.309 21.538 61.248 1.00 27.92 C ATOM 205 C THR 285 -16.557 24.091 64.022 1.00 27.92 C ATOM 206 O THR 285 -17.595 24.276 64.655 1.00 27.92 O ATOM 207 N GLY 286 -15.349 24.379 64.531 1.00 11.80 N ATOM 208 CA GLY 286 -15.223 24.832 65.882 1.00 11.80 C ATOM 209 C GLY 286 -15.009 23.613 66.712 1.00 11.80 C ATOM 210 O GLY 286 -15.008 23.671 67.941 1.00 11.80 O ATOM 211 N GLU 287 -14.826 22.460 66.041 1.00 68.67 N ATOM 212 CA GLU 287 -14.614 21.236 66.747 1.00 68.67 C ATOM 213 CB GLU 287 -14.456 20.011 65.831 1.00 68.67 C ATOM 214 CG GLU 287 -13.271 20.120 64.871 1.00 68.67 C ATOM 215 CD GLU 287 -13.146 18.801 64.122 1.00 68.67 C ATOM 216 OE1 GLU 287 -14.143 18.386 63.474 1.00 68.67 O ATOM 217 OE2 GLU 287 -12.046 18.190 64.193 1.00 68.67 O ATOM 218 C GLU 287 -13.332 21.374 67.554 1.00 68.67 C ATOM 219 O GLU 287 -12.410 22.104 67.098 1.00 68.67 O ATOM 220 OXT GLU 287 -13.259 20.742 68.641 1.00 68.67 O