EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 92.6833 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1214.10974 REMARK 6 GA341 score: 0.97599 REMARK 6 Normalized DOPE score: -0.34677 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 50.0% ATOM 1 N GLU 259 3.190 17.181 42.158 1.00 90.56 N ATOM 2 CA GLU 259 1.755 17.336 41.827 1.00 90.56 C ATOM 3 CB GLU 259 1.106 15.974 41.534 1.00 90.56 C ATOM 4 CG GLU 259 1.355 15.490 40.111 1.00 90.56 C ATOM 5 CD GLU 259 0.422 16.290 39.211 1.00 90.56 C ATOM 6 OE1 GLU 259 -0.570 16.862 39.744 1.00 90.56 O ATOM 7 OE2 GLU 259 0.686 16.341 37.982 1.00 90.56 O ATOM 8 C GLU 259 0.970 17.979 42.913 1.00 90.56 C ATOM 9 O GLU 259 1.455 18.169 44.027 1.00 90.56 O ATOM 10 N LYS 260 -0.279 18.364 42.582 1.00143.11 N ATOM 11 CA LYS 260 -1.146 18.945 43.561 1.00143.11 C ATOM 12 CB LYS 260 -1.730 20.309 43.149 1.00143.11 C ATOM 13 CG LYS 260 -0.686 21.382 42.833 1.00143.11 C ATOM 14 CD LYS 260 0.037 21.153 41.502 1.00143.11 C ATOM 15 CE LYS 260 -0.895 21.181 40.288 1.00143.11 C ATOM 16 NZ LYS 260 -1.484 22.530 40.133 1.00143.11 N ATOM 17 C LYS 260 -2.314 18.022 43.669 1.00143.11 C ATOM 18 O LYS 260 -3.199 18.009 42.813 1.00143.11 O ATOM 19 N PRO 261 -2.318 17.234 44.700 1.00121.31 N ATOM 20 CA PRO 261 -3.376 16.287 44.921 1.00121.31 C ATOM 21 CD PRO 261 -1.073 16.814 45.316 1.00121.31 C ATOM 22 CB PRO 261 -2.830 15.269 45.927 1.00121.31 C ATOM 23 CG PRO 261 -1.526 15.894 46.457 1.00121.31 C ATOM 24 C PRO 261 -4.700 16.868 45.314 1.00121.31 C ATOM 25 O PRO 261 -5.715 16.211 45.085 1.00121.31 O ATOM 26 N PHE 262 -4.746 18.074 45.907 1.00 57.08 N ATOM 27 CA PHE 262 -6.033 18.536 46.345 1.00 57.08 C ATOM 28 CB PHE 262 -6.052 19.061 47.789 1.00 57.08 C ATOM 29 CG PHE 262 -5.940 17.868 48.671 1.00 57.08 C ATOM 30 CD1 PHE 262 -7.058 17.117 48.953 1.00 57.08 C ATOM 31 CD2 PHE 262 -4.731 17.498 49.214 1.00 57.08 C ATOM 32 CE1 PHE 262 -6.977 16.012 49.763 1.00 57.08 C ATOM 33 CE2 PHE 262 -4.644 16.392 50.027 1.00 57.08 C ATOM 34 CZ PHE 262 -5.766 15.648 50.302 1.00 57.08 C ATOM 35 C PHE 262 -6.524 19.622 45.451 1.00 57.08 C ATOM 36 O PHE 262 -5.814 20.583 45.165 1.00 57.08 O ATOM 37 N THR 263 -7.791 19.489 45.003 1.00 97.38 N ATOM 38 CA THR 263 -8.370 20.444 44.104 1.00 97.38 C ATOM 39 CB THR 263 -8.883 19.825 42.835 1.00 97.38 C ATOM 40 OG1 THR 263 -9.302 20.837 41.931 1.00 97.38 O ATOM 41 CG2 THR 263 -10.057 18.889 43.171 1.00 97.38 C ATOM 42 C THR 263 -9.535 21.101 44.777 1.00 97.38 C ATOM 43 O THR 263 -10.312 20.454 45.478 1.00 97.38 O ATOM 44 N CYS 264 -9.661 22.430 44.585 1.00 40.01 N ATOM 45 CA CYS 264 -10.742 23.185 45.155 1.00 40.01 C ATOM 46 CB CYS 264 -10.462 24.698 45.219 1.00 40.01 C ATOM 47 SG CYS 264 -11.842 25.644 45.932 1.00 40.01 S ATOM 48 C CYS 264 -11.963 22.979 44.313 1.00 40.01 C ATOM 49 O CYS 264 -11.926 23.074 43.086 1.00 40.01 O ATOM 50 N THR 265 -13.102 22.703 44.966 1.00103.09 N ATOM 51 CA THR 265 -14.307 22.451 44.236 1.00103.09 C ATOM 52 CB THR 265 -15.438 21.995 45.114 1.00103.09 C ATOM 53 OG1 THR 265 -16.538 21.583 44.319 1.00103.09 O ATOM 54 CG2 THR 265 -15.851 23.146 46.046 1.00103.09 C ATOM 55 C THR 265 -14.741 23.689 43.511 1.00103.09 C ATOM 56 O THR 265 -15.190 23.613 42.368 1.00103.09 O ATOM 57 N GLN 266 -14.650 24.869 44.158 1.00110.26 N ATOM 58 CA GLN 266 -15.171 26.049 43.524 1.00110.26 C ATOM 59 CB GLN 266 -15.100 27.271 44.456 1.00110.26 C ATOM 60 CG GLN 266 -15.902 27.134 45.751 1.00110.26 C ATOM 61 CD GLN 266 -15.585 28.349 46.610 1.00110.26 C ATOM 62 OE1 GLN 266 -14.458 28.842 46.611 1.00110.26 O ATOM 63 NE2 GLN 266 -16.604 28.855 47.355 1.00110.26 N ATOM 64 C GLN 266 -14.390 26.446 42.301 1.00110.26 C ATOM 65 O GLN 266 -14.920 26.440 41.189 1.00110.26 O ATOM 66 N CYS 267 -13.104 26.809 42.500 1.00 64.03 N ATOM 67 CA CYS 267 -12.227 27.303 41.467 1.00 64.03 C ATOM 68 CB CYS 267 -11.042 28.103 42.036 1.00 64.03 C ATOM 69 SG CYS 267 -10.054 27.151 43.228 1.00 64.03 S ATOM 70 C CYS 267 -11.685 26.224 40.577 1.00 64.03 C ATOM 71 O CYS 267 -11.610 26.396 39.363 1.00 64.03 O ATOM 72 N GLY 268 -11.295 25.072 41.152 1.00 26.85 N ATOM 73 CA GLY 268 -10.696 24.042 40.351 1.00 26.85 C ATOM 74 C GLY 268 -9.201 24.137 40.483 1.00 26.85 C ATOM 75 O GLY 268 -8.469 23.382 39.844 1.00 26.85 O ATOM 76 N LYS 269 -8.705 25.073 41.319 1.00 78.60 N ATOM 77 CA LYS 269 -7.287 25.225 41.514 1.00 78.60 C ATOM 78 CB LYS 269 -6.906 26.497 42.297 1.00 78.60 C ATOM 79 CG LYS 269 -5.394 26.653 42.485 1.00 78.60 C ATOM 80 CD LYS 269 -4.954 28.024 43.002 1.00 78.60 C ATOM 81 CE LYS 269 -4.606 29.014 41.891 1.00 78.60 C ATOM 82 NZ LYS 269 -4.107 30.279 42.474 1.00 78.60 N ATOM 83 C LYS 269 -6.793 24.049 42.306 1.00 78.60 C ATOM 84 O LYS 269 -7.511 23.505 43.144 1.00 78.60 O ATOM 85 N SER 270 -5.535 23.621 42.054 1.00 52.34 N ATOM 86 CA SER 270 -4.993 22.481 42.746 1.00 52.34 C ATOM 87 CB SER 270 -4.386 21.420 41.809 1.00 52.34 C ATOM 88 OG SER 270 -5.395 20.839 40.997 1.00 52.34 O ATOM 89 C SER 270 -3.890 22.941 43.653 1.00 52.34 C ATOM 90 O SER 270 -3.207 23.926 43.374 1.00 52.34 O ATOM 91 N PHE 271 -3.692 22.217 44.779 1.00145.40 N ATOM 92 CA PHE 271 -2.702 22.604 45.748 1.00145.40 C ATOM 93 CB PHE 271 -3.315 23.116 47.061 1.00145.40 C ATOM 94 CG PHE 271 -3.998 24.406 46.776 1.00145.40 C ATOM 95 CD1 PHE 271 -5.300 24.422 46.330 1.00145.40 C ATOM 96 CD2 PHE 271 -3.329 25.596 46.946 1.00145.40 C ATOM 97 CE1 PHE 271 -5.930 25.614 46.064 1.00145.40 C ATOM 98 CE2 PHE 271 -3.954 26.791 46.682 1.00145.40 C ATOM 99 CZ PHE 271 -5.254 26.798 46.239 1.00145.40 C ATOM 100 C PHE 271 -1.867 21.424 46.132 1.00145.40 C ATOM 101 O PHE 271 -2.306 20.277 46.081 1.00145.40 O ATOM 102 N ASN 272 -0.611 21.712 46.525 1.00 96.27 N ATOM 103 CA ASN 272 0.333 20.727 46.963 1.00 96.27 C ATOM 104 CB ASN 272 1.733 21.315 47.209 1.00 96.27 C ATOM 105 CG ASN 272 2.314 21.790 45.884 1.00 96.27 C ATOM 106 OD1 ASN 272 1.656 21.743 44.846 1.00 96.27 O ATOM 107 ND2 ASN 272 3.591 22.258 45.921 1.00 96.27 N ATOM 108 C ASN 272 -0.122 20.155 48.274 1.00 96.27 C ATOM 109 O ASN 272 0.021 18.957 48.513 1.00 96.27 O ATOM 110 N CYS 273 -0.674 20.998 49.174 1.00 34.60 N ATOM 111 CA CYS 273 -1.026 20.485 50.471 1.00 34.60 C ATOM 112 CB CYS 273 -0.146 21.049 51.599 1.00 34.60 C ATOM 113 SG CYS 273 1.608 20.620 51.387 1.00 34.60 S ATOM 114 C CYS 273 -2.449 20.823 50.803 1.00 34.60 C ATOM 115 O CYS 273 -3.002 21.817 50.336 1.00 34.60 O ATOM 116 N SER 274 -3.071 19.976 51.651 1.00 68.08 N ATOM 117 CA SER 274 -4.439 20.127 52.058 1.00 68.08 C ATOM 118 CB SER 274 -4.941 18.950 52.916 1.00 68.08 C ATOM 119 OG SER 274 -4.241 18.901 54.150 1.00 68.08 O ATOM 120 C SER 274 -4.587 21.377 52.866 1.00 68.08 C ATOM 121 O SER 274 -5.589 22.082 52.756 1.00 68.08 O ATOM 122 N SER 275 -3.576 21.698 53.695 1.00 23.20 N ATOM 123 CA SER 275 -3.669 22.844 54.553 1.00 23.20 C ATOM 124 CB SER 275 -2.413 23.044 55.417 1.00 23.20 C ATOM 125 OG SER 275 -1.295 23.317 54.584 1.00 23.20 O ATOM 126 C SER 275 -3.822 24.069 53.711 1.00 23.20 C ATOM 127 O SER 275 -4.634 24.941 54.013 1.00 23.20 O ATOM 128 N LEU 276 -3.040 24.157 52.619 1.00 72.75 N ATOM 129 CA LEU 276 -3.080 25.306 51.764 1.00 72.75 C ATOM 130 CB LEU 276 -2.042 25.247 50.630 1.00 72.75 C ATOM 131 CG LEU 276 -0.580 25.329 51.105 1.00 72.75 C ATOM 132 CD1 LEU 276 -0.271 26.704 51.717 1.00 72.75 C ATOM 133 CD2 LEU 276 -0.218 24.162 52.037 1.00 72.75 C ATOM 134 C LEU 276 -4.426 25.394 51.122 1.00 72.75 C ATOM 135 O LEU 276 -4.982 26.481 50.977 1.00 72.75 O ATOM 136 N LEU 277 -4.998 24.241 50.731 1.00101.61 N ATOM 137 CA LEU 277 -6.243 24.263 50.026 1.00101.61 C ATOM 138 CB LEU 277 -6.724 22.841 49.671 1.00101.61 C ATOM 139 CG LEU 277 -7.856 22.752 48.622 1.00101.61 C ATOM 140 CD1 LEU 277 -8.244 21.286 48.366 1.00101.61 C ATOM 141 CD2 LEU 277 -9.062 23.642 48.957 1.00101.61 C ATOM 142 C LEU 277 -7.265 24.904 50.914 1.00101.61 C ATOM 143 O LEU 277 -8.000 25.790 50.482 1.00101.61 O ATOM 144 N ASN 278 -7.319 24.508 52.198 1.00 38.09 N ATOM 145 CA ASN 278 -8.322 25.085 53.047 1.00 38.09 C ATOM 146 CB ASN 278 -8.403 24.452 54.446 1.00 38.09 C ATOM 147 CG ASN 278 -9.245 23.192 54.293 1.00 38.09 C ATOM 148 OD1 ASN 278 -10.179 23.156 53.493 1.00 38.09 O ATOM 149 ND2 ASN 278 -8.917 22.129 55.073 1.00 38.09 N ATOM 150 C ASN 278 -8.088 26.555 53.176 1.00 38.09 C ATOM 151 O ASN 278 -9.037 27.339 53.187 1.00 38.09 O ATOM 152 N LYS 279 -6.816 26.978 53.263 1.00 75.27 N ATOM 153 CA LYS 279 -6.556 28.379 53.400 1.00 75.27 C ATOM 154 CB LYS 279 -5.050 28.687 53.459 1.00 75.27 C ATOM 155 CG LYS 279 -4.741 30.155 53.752 1.00 75.27 C ATOM 156 CD LYS 279 -3.298 30.390 54.202 1.00 75.27 C ATOM 157 CE LYS 279 -2.984 31.858 54.499 1.00 75.27 C ATOM 158 NZ LYS 279 -2.901 32.628 53.238 1.00 75.27 N ATOM 159 C LYS 279 -7.129 29.048 52.193 1.00 75.27 C ATOM 160 O LYS 279 -7.798 30.074 52.295 1.00 75.27 O ATOM 161 N HIS 280 -6.898 28.456 51.008 1.00 28.57 N ATOM 162 CA HIS 280 -7.421 29.009 49.795 1.00 28.57 C ATOM 163 ND1 HIS 280 -6.942 29.700 46.533 1.00 28.57 N ATOM 164 CG HIS 280 -7.601 28.745 47.273 1.00 28.57 C ATOM 165 CB HIS 280 -7.082 28.160 48.557 1.00 28.57 C ATOM 166 NE2 HIS 280 -8.834 29.254 45.452 1.00 28.57 N ATOM 167 CD2 HIS 280 -8.756 28.483 46.600 1.00 28.57 C ATOM 168 CE1 HIS 280 -7.725 29.968 45.454 1.00 28.57 C ATOM 169 C HIS 280 -8.938 29.057 49.916 1.00 28.57 C ATOM 170 O HIS 280 -9.523 30.122 49.581 1.00 28.57 O ATOM 171 OXT HIS 280 -9.534 28.027 50.330 1.00 28.57 O