EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:39 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.1567 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1672.66882 REMARK 6 GA341 score: 0.99315 REMARK 6 Normalized DOPE score: -0.97560 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 60.0% ATOM 1 N GLU 218 -4.464 38.190 38.082 1.00 67.41 N ATOM 2 CA GLU 218 -4.359 38.396 39.545 1.00 67.41 C ATOM 3 CB GLU 218 -5.658 38.986 40.125 1.00 67.41 C ATOM 4 CG GLU 218 -5.936 40.468 39.863 1.00 67.41 C ATOM 5 CD GLU 218 -7.277 40.748 40.525 1.00 67.41 C ATOM 6 OE1 GLU 218 -8.163 39.857 40.398 1.00 67.41 O ATOM 7 OE2 GLU 218 -7.437 41.821 41.164 1.00 67.41 O ATOM 8 C GLU 218 -4.131 37.116 40.282 1.00 67.41 C ATOM 9 O GLU 218 -4.316 36.019 39.755 1.00 67.41 O ATOM 10 N LYS 219 -3.685 37.250 41.545 1.00 55.91 N ATOM 11 CA LYS 219 -3.501 36.100 42.378 1.00 55.91 C ATOM 12 CB LYS 219 -2.046 35.920 42.856 1.00 55.91 C ATOM 13 CG LYS 219 -1.058 35.630 41.724 1.00 55.91 C ATOM 14 CD LYS 219 0.414 35.709 42.149 1.00 55.91 C ATOM 15 CE LYS 219 1.390 35.582 40.982 1.00 55.91 C ATOM 16 NZ LYS 219 2.787 35.656 41.472 1.00 55.91 N ATOM 17 C LYS 219 -4.374 36.330 43.572 1.00 55.91 C ATOM 18 O LYS 219 -4.078 37.115 44.470 1.00 55.91 O ATOM 19 N PRO 220 -5.484 35.664 43.542 1.00123.63 N ATOM 20 CA PRO 220 -6.501 35.770 44.555 1.00123.63 C ATOM 21 CD PRO 220 -5.985 35.121 42.295 1.00123.63 C ATOM 22 CB PRO 220 -7.782 35.232 43.906 1.00123.63 C ATOM 23 CG PRO 220 -7.292 34.424 42.688 1.00123.63 C ATOM 24 C PRO 220 -6.169 35.098 45.856 1.00123.63 C ATOM 25 O PRO 220 -6.852 35.371 46.844 1.00123.63 O ATOM 26 N TYR 221 -5.145 34.224 45.899 1.00 70.31 N ATOM 27 CA TYR 221 -4.920 33.460 47.095 1.00 70.31 C ATOM 28 CB TYR 221 -4.788 31.966 46.787 1.00 70.31 C ATOM 29 CG TYR 221 -6.093 31.532 46.214 1.00 70.31 C ATOM 30 CD1 TYR 221 -7.096 31.095 47.046 1.00 70.31 C ATOM 31 CD2 TYR 221 -6.325 31.563 44.857 1.00 70.31 C ATOM 32 CE1 TYR 221 -8.310 30.694 46.548 1.00 70.31 C ATOM 33 CE2 TYR 221 -7.540 31.163 44.348 1.00 70.31 C ATOM 34 CZ TYR 221 -8.532 30.726 45.193 1.00 70.31 C ATOM 35 OH TYR 221 -9.776 30.315 44.671 1.00 70.31 O ATOM 36 C TYR 221 -3.642 33.878 47.754 1.00 70.31 C ATOM 37 O TYR 221 -2.566 33.725 47.192 1.00 70.31 O ATOM 38 N THR 222 -3.741 34.380 49.009 1.00 38.46 N ATOM 39 CA THR 222 -2.549 34.811 49.683 1.00 38.46 C ATOM 40 CB THR 222 -2.600 36.225 50.189 1.00 38.46 C ATOM 41 OG1 THR 222 -2.835 37.127 49.118 1.00 38.46 O ATOM 42 CG2 THR 222 -1.252 36.553 50.859 1.00 38.46 C ATOM 43 C THR 222 -2.308 33.929 50.868 1.00 38.46 C ATOM 44 O THR 222 -3.237 33.510 51.559 1.00 38.46 O ATOM 45 N CYS 223 -1.018 33.597 51.094 1.00 48.42 N ATOM 46 CA CYS 223 -0.599 32.747 52.172 1.00 48.42 C ATOM 47 CB CYS 223 0.813 32.161 51.967 1.00 48.42 C ATOM 48 SG CYS 223 1.328 31.018 53.285 1.00 48.42 S ATOM 49 C CYS 223 -0.619 33.553 53.425 1.00 48.42 C ATOM 50 O CYS 223 -0.090 34.665 53.487 1.00 48.42 O ATOM 51 N GLU 224 -1.218 32.979 54.478 1.00114.90 N ATOM 52 CA GLU 224 -1.381 33.724 55.677 1.00114.90 C ATOM 53 CB GLU 224 -2.226 32.992 56.718 1.00114.90 C ATOM 54 CG GLU 224 -2.841 33.969 57.713 1.00114.90 C ATOM 55 CD GLU 224 -3.878 34.758 56.932 1.00114.90 C ATOM 56 OE1 GLU 224 -4.172 34.322 55.783 1.00114.90 O ATOM 57 OE2 GLU 224 -4.383 35.784 57.451 1.00114.90 O ATOM 58 C GLU 224 -0.056 34.032 56.289 1.00114.90 C ATOM 59 O GLU 224 0.146 35.140 56.786 1.00114.90 O ATOM 60 N GLN 225 0.877 33.055 56.319 1.00147.04 N ATOM 61 CA GLN 225 2.105 33.375 56.988 1.00147.04 C ATOM 62 CB GLN 225 2.987 32.146 57.285 1.00147.04 C ATOM 63 CG GLN 225 2.549 31.354 58.519 1.00147.04 C ATOM 64 CD GLN 225 3.064 32.086 59.750 1.00147.04 C ATOM 65 OE1 GLN 225 4.255 32.367 59.879 1.00147.04 O ATOM 66 NE2 GLN 225 2.129 32.419 60.677 1.00147.04 N ATOM 67 C GLN 225 2.961 34.377 56.260 1.00147.04 C ATOM 68 O GLN 225 3.203 35.466 56.784 1.00147.04 O ATOM 69 N CYS 226 3.438 34.042 55.035 1.00 66.16 N ATOM 70 CA CYS 226 4.360 34.895 54.313 1.00 66.16 C ATOM 71 CB CYS 226 5.282 34.144 53.334 1.00 66.16 C ATOM 72 SG CYS 226 4.405 33.326 51.975 1.00 66.16 S ATOM 73 C CYS 226 3.714 36.050 53.602 1.00 66.16 C ATOM 74 O CYS 226 4.296 37.130 53.504 1.00 66.16 O ATOM 75 N GLY 227 2.494 35.864 53.066 1.00 29.30 N ATOM 76 CA GLY 227 1.852 36.945 52.367 1.00 29.30 C ATOM 77 C GLY 227 2.045 36.791 50.886 1.00 29.30 C ATOM 78 O GLY 227 1.675 37.678 50.117 1.00 29.30 O ATOM 79 N LYS 228 2.637 35.668 50.439 1.00 63.72 N ATOM 80 CA LYS 228 2.828 35.468 49.029 1.00 63.72 C ATOM 81 CB LYS 228 3.806 34.331 48.707 1.00 63.72 C ATOM 82 CG LYS 228 4.232 34.309 47.240 1.00 63.72 C ATOM 83 CD LYS 228 5.374 33.336 46.942 1.00 63.72 C ATOM 84 CE LYS 228 5.907 33.464 45.512 1.00 63.72 C ATOM 85 NZ LYS 228 6.626 32.236 45.107 1.00 63.72 N ATOM 86 C LYS 228 1.497 35.127 48.416 1.00 63.72 C ATOM 87 O LYS 228 0.682 34.443 49.033 1.00 63.72 O ATOM 88 N SER 229 1.241 35.602 47.172 1.00 58.44 N ATOM 89 CA SER 229 -0.045 35.369 46.555 1.00 58.44 C ATOM 90 CB SER 229 -0.717 36.643 46.002 1.00 58.44 C ATOM 91 OG SER 229 -1.232 37.434 47.063 1.00 58.44 O ATOM 92 C SER 229 0.099 34.422 45.402 1.00 58.44 C ATOM 93 O SER 229 1.156 34.359 44.777 1.00 58.44 O ATOM 94 N PHE 230 -0.977 33.657 45.092 1.00138.21 N ATOM 95 CA PHE 230 -0.921 32.686 44.028 1.00138.21 C ATOM 96 CB PHE 230 -0.936 31.228 44.521 1.00138.21 C ATOM 97 CG PHE 230 0.311 30.995 45.291 1.00138.21 C ATOM 98 CD1 PHE 230 0.343 31.297 46.634 1.00138.21 C ATOM 99 CD2 PHE 230 1.437 30.493 44.677 1.00138.21 C ATOM 100 CE1 PHE 230 1.482 31.089 47.362 1.00138.21 C ATOM 101 CE2 PHE 230 2.581 30.282 45.406 1.00138.21 C ATOM 102 CZ PHE 230 2.600 30.582 46.746 1.00138.21 C ATOM 103 C PHE 230 -2.148 32.809 43.179 1.00138.21 C ATOM 104 O PHE 230 -3.206 33.235 43.641 1.00138.21 O ATOM 105 N SER 231 -2.016 32.448 41.889 1.00 39.44 N ATOM 106 CA SER 231 -3.096 32.453 40.944 1.00 39.44 C ATOM 107 CB SER 231 -2.613 32.274 39.494 1.00 39.44 C ATOM 108 OG SER 231 -1.867 31.073 39.377 1.00 39.44 O ATOM 109 C SER 231 -4.049 31.335 41.242 1.00 39.44 C ATOM 110 O SER 231 -5.244 31.453 40.969 1.00 39.44 O ATOM 111 N GLN 232 -3.557 30.213 41.801 1.00 55.43 N ATOM 112 CA GLN 232 -4.434 29.099 42.020 1.00 55.43 C ATOM 113 CB GLN 232 -4.098 27.863 41.174 1.00 55.43 C ATOM 114 CG GLN 232 -4.284 28.009 39.665 1.00 55.43 C ATOM 115 CD GLN 232 -4.005 26.630 39.090 1.00 55.43 C ATOM 116 OE1 GLN 232 -3.156 26.465 38.216 1.00 55.43 O ATOM 117 NE2 GLN 232 -4.755 25.615 39.594 1.00 55.43 N ATOM 118 C GLN 232 -4.344 28.637 43.441 1.00 55.43 C ATOM 119 O GLN 232 -3.305 28.735 44.101 1.00 55.43 O ATOM 120 N LYS 233 -5.466 28.088 43.939 1.00 69.43 N ATOM 121 CA LYS 233 -5.572 27.574 45.271 1.00 69.43 C ATOM 122 CB LYS 233 -6.986 27.102 45.622 1.00 69.43 C ATOM 123 CG LYS 233 -7.040 26.447 46.997 1.00 69.43 C ATOM 124 CD LYS 233 -8.438 26.466 47.607 1.00 69.43 C ATOM 125 CE LYS 233 -8.579 27.551 48.673 1.00 69.43 C ATOM 126 NZ LYS 233 -10.000 27.945 48.830 1.00 69.43 N ATOM 127 C LYS 233 -4.657 26.410 45.443 1.00 69.43 C ATOM 128 O LYS 233 -4.045 26.259 46.499 1.00 69.43 O ATOM 129 N ARG 234 -4.531 25.567 44.405 1.00161.16 N ATOM 130 CA ARG 234 -3.737 24.374 44.478 1.00161.16 C ATOM 131 CB ARG 234 -3.738 23.644 43.130 1.00161.16 C ATOM 132 CG ARG 234 -2.864 22.399 43.102 1.00161.16 C ATOM 133 CD ARG 234 -3.517 21.187 43.751 1.00161.16 C ATOM 134 NE ARG 234 -4.835 20.986 43.083 1.00161.16 N ATOM 135 CZ ARG 234 -5.567 19.860 43.329 1.00161.16 C ATOM 136 NH1 ARG 234 -5.093 18.914 44.191 1.00161.16 N ATOM 137 NH2 ARG 234 -6.777 19.679 42.722 1.00161.16 N ATOM 138 C ARG 234 -2.318 24.737 44.779 1.00161.16 C ATOM 139 O ARG 234 -1.673 24.122 45.627 1.00161.16 O ATOM 140 N SER 235 -1.797 25.763 44.090 1.00 66.36 N ATOM 141 CA SER 235 -0.430 26.150 44.278 1.00 66.36 C ATOM 142 CB SER 235 0.016 27.214 43.265 1.00 66.36 C ATOM 143 OG SER 235 -0.874 28.319 43.292 1.00 66.36 O ATOM 144 C SER 235 -0.233 26.675 45.667 1.00 66.36 C ATOM 145 O SER 235 0.810 26.442 46.275 1.00 66.36 O ATOM 146 N PHE 236 -1.239 27.393 46.211 1.00 47.76 N ATOM 147 CA PHE 236 -1.124 27.914 47.543 1.00 47.76 C ATOM 148 CB PHE 236 -2.331 28.766 47.977 1.00 47.76 C ATOM 149 CG PHE 236 -2.252 28.903 49.465 1.00 47.76 C ATOM 150 CD1 PHE 236 -1.401 29.800 50.071 1.00 47.76 C ATOM 151 CD2 PHE 236 -3.026 28.087 50.259 1.00 47.76 C ATOM 152 CE1 PHE 236 -1.346 29.890 51.445 1.00 47.76 C ATOM 153 CE2 PHE 236 -2.978 28.166 51.631 1.00 47.76 C ATOM 154 CZ PHE 236 -2.135 29.075 52.224 1.00 47.76 C ATOM 155 C PHE 236 -1.007 26.788 48.517 1.00 47.76 C ATOM 156 O PHE 236 -0.174 26.829 49.418 1.00 47.76 O ATOM 157 N LYS 237 -1.835 25.739 48.352 1.00 92.45 N ATOM 158 CA LYS 237 -1.835 24.673 49.314 1.00 92.45 C ATOM 159 CB LYS 237 -2.791 23.515 48.976 1.00 92.45 C ATOM 160 CG LYS 237 -2.857 22.481 50.102 1.00 92.45 C ATOM 161 CD LYS 237 -3.954 21.437 49.921 1.00 92.45 C ATOM 162 CE LYS 237 -4.141 20.545 51.148 1.00 92.45 C ATOM 163 NZ LYS 237 -2.923 19.738 51.388 1.00 92.45 N ATOM 164 C LYS 237 -0.472 24.071 49.378 1.00 92.45 C ATOM 165 O LYS 237 0.035 23.755 50.452 1.00 92.45 O ATOM 166 N ALA 238 0.160 23.901 48.209 1.00 21.46 N ATOM 167 CA ALA 238 1.453 23.290 48.155 1.00 21.46 C ATOM 168 CB ALA 238 1.962 23.131 46.713 1.00 21.46 C ATOM 169 C ALA 238 2.421 24.155 48.900 1.00 21.46 C ATOM 170 O ALA 238 3.279 23.657 49.627 1.00 21.46 O ATOM 171 N HIS 239 2.297 25.484 48.739 1.00 52.44 N ATOM 172 CA HIS 239 3.190 26.423 49.358 1.00 52.44 C ATOM 173 ND1 HIS 239 5.164 29.023 48.980 1.00 52.44 N ATOM 174 CG HIS 239 3.848 28.924 49.383 1.00 52.44 C ATOM 175 CB HIS 239 2.884 27.868 48.918 1.00 52.44 C ATOM 176 NE2 HIS 239 4.786 30.741 50.341 1.00 52.44 N ATOM 177 CD2 HIS 239 3.636 29.981 50.216 1.00 52.44 C ATOM 178 CE1 HIS 239 5.676 30.126 49.582 1.00 52.44 C ATOM 179 C HIS 239 3.057 26.329 50.853 1.00 52.44 C ATOM 180 O HIS 239 4.049 26.348 51.581 1.00 52.44 O ATOM 181 N MET 240 1.825 26.207 51.376 1.00120.99 N ATOM 182 CA MET 240 1.702 26.169 52.806 1.00120.99 C ATOM 183 CB MET 240 0.264 26.208 53.356 1.00120.99 C ATOM 184 CG MET 240 0.265 26.293 54.884 1.00120.99 C ATOM 185 SD MET 240 0.874 27.882 55.531 1.00120.99 S ATOM 186 CE MET 240 -0.703 28.776 55.413 1.00120.99 C ATOM 187 C MET 240 2.356 24.936 53.352 1.00120.99 C ATOM 188 O MET 240 2.905 24.972 54.454 1.00120.99 O ATOM 189 N ARG 241 2.316 23.801 52.626 1.00 92.55 N ATOM 190 CA ARG 241 2.876 22.604 53.201 1.00 92.55 C ATOM 191 CB ARG 241 2.879 21.375 52.274 1.00 92.55 C ATOM 192 CG ARG 241 1.522 20.890 51.759 1.00 92.55 C ATOM 193 CD ARG 241 1.626 19.595 50.947 1.00 92.55 C ATOM 194 NE ARG 241 0.381 19.430 50.144 1.00 92.55 N ATOM 195 CZ ARG 241 0.428 18.580 49.076 1.00 92.55 C ATOM 196 NH1 ARG 241 1.591 17.907 48.828 1.00 92.55 N ATOM 197 NH2 ARG 241 -0.652 18.408 48.263 1.00 92.55 N ATOM 198 C ARG 241 4.321 22.839 53.503 1.00 92.55 C ATOM 199 O ARG 241 4.799 22.507 54.588 1.00 92.55 O ATOM 200 N ILE 242 5.062 23.441 52.556 1.00 70.59 N ATOM 201 CA ILE 242 6.438 23.664 52.870 1.00 70.59 C ATOM 202 CB ILE 242 7.255 24.264 51.765 1.00 70.59 C ATOM 203 CG1 ILE 242 8.734 24.309 52.181 1.00 70.59 C ATOM 204 CG2 ILE 242 6.685 25.647 51.439 1.00 70.59 C ATOM 205 CD1 ILE 242 9.668 24.785 51.069 1.00 70.59 C ATOM 206 C ILE 242 6.456 24.626 54.038 1.00 70.59 C ATOM 207 O ILE 242 7.497 24.700 54.734 1.00 70.59 O ATOM 208 OXT ILE 242 5.405 25.287 54.263 1.00 70.59 O