EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 11:58:54 REMARK 6 MODELLER OBJECTIVE FUNCTION: 87.8504 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 43.478 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1370.31470 REMARK 6 GA341 score: 0.86414 REMARK 6 Normalized DOPE score: -0.88693 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 43.5% ATOM 1 N VAL 350 -6.464 54.000 51.630 1.00 21.51 N ATOM 2 CA VAL 350 -7.227 53.617 52.837 1.00 21.51 C ATOM 3 CB VAL 350 -8.682 53.449 52.511 1.00 21.51 C ATOM 4 CG1 VAL 350 -9.413 52.947 53.769 1.00 21.51 C ATOM 5 CG2 VAL 350 -9.221 54.775 51.951 1.00 21.51 C ATOM 6 C VAL 350 -6.739 52.315 53.376 1.00 21.51 C ATOM 7 O VAL 350 -6.725 51.306 52.674 1.00 21.51 O ATOM 8 N LYS 351 -6.293 52.322 54.645 1.00 85.97 N ATOM 9 CA LYS 351 -5.858 51.101 55.250 1.00 85.97 C ATOM 10 CB LYS 351 -4.364 51.123 55.581 1.00 85.97 C ATOM 11 CG LYS 351 -3.523 51.214 54.309 1.00 85.97 C ATOM 12 CD LYS 351 -2.102 51.722 54.548 1.00 85.97 C ATOM 13 CE LYS 351 -2.040 53.224 54.831 1.00 85.97 C ATOM 14 NZ LYS 351 -0.633 53.683 54.784 1.00 85.97 N ATOM 15 C LYS 351 -6.625 50.980 56.523 1.00 85.97 C ATOM 16 O LYS 351 -6.238 51.485 57.575 1.00 85.97 O ATOM 17 N PRO 352 -7.737 50.325 56.401 1.00 80.72 N ATOM 18 CA PRO 352 -8.651 50.123 57.486 1.00 80.72 C ATOM 19 CD PRO 352 -8.355 50.110 55.105 1.00 80.72 C ATOM 20 CB PRO 352 -9.982 49.718 56.849 1.00 80.72 C ATOM 21 CG PRO 352 -9.610 49.282 55.421 1.00 80.72 C ATOM 22 C PRO 352 -8.203 49.153 58.525 1.00 80.72 C ATOM 23 O PRO 352 -8.781 49.170 59.610 1.00 80.72 O ATOM 24 N TYR 353 -7.206 48.296 58.243 1.00118.74 N ATOM 25 CA TYR 353 -6.910 47.294 59.221 1.00118.74 C ATOM 26 CB TYR 353 -6.893 45.870 58.639 1.00118.74 C ATOM 27 CG TYR 353 -8.321 45.535 58.366 1.00118.74 C ATOM 28 CD1 TYR 353 -8.953 45.932 57.208 1.00118.74 C ATOM 29 CD2 TYR 353 -9.036 44.820 59.295 1.00118.74 C ATOM 30 CE1 TYR 353 -10.275 45.617 56.982 1.00118.74 C ATOM 31 CE2 TYR 353 -10.354 44.501 59.079 1.00118.74 C ATOM 32 CZ TYR 353 -10.978 44.899 57.922 1.00118.74 C ATOM 33 OH TYR 353 -12.333 44.566 57.706 1.00118.74 O ATOM 34 C TYR 353 -5.604 47.586 59.870 1.00118.74 C ATOM 35 O TYR 353 -4.564 47.665 59.221 1.00118.74 O ATOM 36 N LYS 354 -5.642 47.742 61.206 1.00 94.98 N ATOM 37 CA LYS 354 -4.455 48.080 61.925 1.00 94.98 C ATOM 38 CB LYS 354 -4.603 49.353 62.771 0.50 94.98 C ATOM 39 CG LYS 354 -5.788 49.280 63.732 0.50 94.98 C ATOM 40 CD LYS 354 -5.826 50.404 64.765 0.50 94.98 C ATOM 41 CE LYS 354 -5.042 50.093 66.040 1.00 94.98 C ATOM 42 NZ LYS 354 -5.255 51.169 67.031 1.00 94.98 N ATOM 43 C LYS 354 -4.099 46.958 62.842 1.00 94.98 C ATOM 44 O LYS 354 -4.960 46.238 63.350 1.00 94.98 O ATOM 45 N CYS 355 -2.779 46.780 63.049 1.00 36.72 N ATOM 46 CA CYS 355 -2.297 45.764 63.932 1.00 36.72 C ATOM 47 CB CYS 355 -0.855 45.318 63.625 1.00 36.72 C ATOM 48 SG CYS 355 -0.271 44.027 64.765 1.00 36.72 S ATOM 49 C CYS 355 -2.310 46.384 65.287 1.00 36.72 C ATOM 50 O CYS 355 -1.875 47.520 65.466 1.00 36.72 O ATOM 51 N SER 356 -2.844 45.651 66.277 1.00 36.85 N ATOM 52 CA SER 356 -2.980 46.178 67.600 1.00 36.85 C ATOM 53 CB SER 356 -3.754 45.227 68.525 1.00 36.85 C ATOM 54 OG SER 356 -3.025 44.021 68.691 1.00 36.85 O ATOM 55 C SER 356 -1.639 46.415 68.217 1.00 36.85 C ATOM 56 O SER 356 -1.449 47.405 68.925 1.00 36.85 O ATOM 57 N HIS 357 -0.683 45.489 68.013 1.00114.30 N ATOM 58 CA HIS 357 0.575 45.675 68.677 1.00114.30 C ATOM 59 ND1 HIS 357 3.308 43.435 70.036 1.00114.30 N ATOM 60 CG HIS 357 2.691 44.534 69.483 1.00114.30 C ATOM 61 CB HIS 357 1.493 44.446 68.578 1.00114.30 C ATOM 62 NE2 HIS 357 4.422 45.220 70.756 1.00114.30 N ATOM 63 CD2 HIS 357 3.386 45.616 69.932 1.00114.30 C ATOM 64 CE1 HIS 357 4.336 43.903 70.789 1.00114.30 C ATOM 65 C HIS 357 1.343 46.845 68.137 1.00114.30 C ATOM 66 O HIS 357 1.619 47.801 68.860 1.00114.30 O ATOM 67 N CYS 358 1.717 46.778 66.841 1.00 57.70 N ATOM 68 CA CYS 358 2.517 47.778 66.179 1.00 57.70 C ATOM 69 CB CYS 358 3.166 47.265 64.881 1.00 57.70 C ATOM 70 SG CYS 358 1.959 46.666 63.664 1.00 57.70 S ATOM 71 C CYS 358 1.717 49.008 65.879 1.00 57.70 C ATOM 72 O CYS 358 2.237 50.124 65.918 1.00 57.70 O ATOM 73 N ASP 359 0.413 48.826 65.603 1.00 72.11 N ATOM 74 CA ASP 359 -0.475 49.895 65.247 1.00 72.11 C ATOM 75 CB ASP 359 -0.342 51.096 66.198 1.00 72.11 C ATOM 76 CG ASP 359 -0.889 50.664 67.550 1.00 72.11 C ATOM 77 OD1 ASP 359 -2.096 50.305 67.616 1.00 72.11 O ATOM 78 OD2 ASP 359 -0.104 50.693 68.536 1.00 72.11 O ATOM 79 C ASP 359 -0.225 50.361 63.838 1.00 72.11 C ATOM 80 O ASP 359 -0.643 51.455 63.465 1.00 72.11 O ATOM 81 N LYS 360 0.430 49.540 62.987 1.00150.58 N ATOM 82 CA LYS 360 0.550 49.964 61.620 1.00150.58 C ATOM 83 CB LYS 360 1.779 49.410 60.869 1.00150.58 C ATOM 84 CG LYS 360 1.811 47.900 60.661 1.00150.58 C ATOM 85 CD LYS 360 2.971 47.464 59.763 1.00150.58 C ATOM 86 CE LYS 360 4.345 47.808 60.334 1.00150.58 C ATOM 87 NZ LYS 360 4.587 47.023 61.564 1.00150.58 N ATOM 88 C LYS 360 -0.712 49.559 60.921 1.00150.58 C ATOM 89 O LYS 360 -1.399 48.636 61.355 1.00150.58 O ATOM 90 N THR 361 -1.061 50.261 59.822 1.00113.71 N ATOM 91 CA THR 361 -2.300 49.999 59.140 1.00113.71 C ATOM 92 CB THR 361 -3.090 51.242 58.858 1.00113.71 C ATOM 93 OG1 THR 361 -2.364 52.089 57.978 1.00113.71 O ATOM 94 CG2 THR 361 -3.377 51.962 60.190 1.00113.71 C ATOM 95 C THR 361 -2.006 49.354 57.822 1.00113.71 C ATOM 96 O THR 361 -0.927 49.529 57.259 1.00113.71 O ATOM 97 N PHE 362 -2.974 48.563 57.310 1.00 59.86 N ATOM 98 CA PHE 362 -2.782 47.874 56.067 1.00 59.86 C ATOM 99 CB PHE 362 -2.559 46.361 56.231 1.00 59.86 C ATOM 100 CG PHE 362 -1.298 46.136 56.993 1.00 59.86 C ATOM 101 CD1 PHE 362 -1.300 46.193 58.368 1.00 59.86 C ATOM 102 CD2 PHE 362 -0.117 45.859 56.341 1.00 59.86 C ATOM 103 CE1 PHE 362 -0.143 45.978 59.078 1.00 59.86 C ATOM 104 CE2 PHE 362 1.045 45.646 57.047 1.00 59.86 C ATOM 105 CZ PHE 362 1.029 45.705 58.418 1.00 59.86 C ATOM 106 C PHE 362 -4.012 48.022 55.228 1.00 59.86 C ATOM 107 O PHE 362 -5.123 48.172 55.735 1.00 59.86 O ATOM 108 N GLY 363 -3.810 47.989 53.897 1.00 31.46 N ATOM 109 CA GLY 363 -4.847 48.111 52.916 1.00 31.46 C ATOM 110 C GLY 363 -5.760 46.922 52.956 1.00 31.46 C ATOM 111 O GLY 363 -6.955 47.054 52.690 1.00 31.46 O ATOM 112 N HIS 364 -5.229 45.713 53.237 1.00106.62 N ATOM 113 CA HIS 364 -6.102 44.574 53.167 1.00106.62 C ATOM 114 ND1 HIS 364 -7.949 42.966 50.921 1.00106.62 N ATOM 115 CG HIS 364 -6.864 42.645 51.707 1.00106.62 C ATOM 116 CB HIS 364 -5.755 43.608 52.021 1.00106.62 C ATOM 117 NE2 HIS 364 -8.213 40.844 51.528 1.00106.62 N ATOM 118 CD2 HIS 364 -7.043 41.346 52.071 1.00106.62 C ATOM 119 CE1 HIS 364 -8.722 41.854 50.845 1.00106.62 C ATOM 120 C HIS 364 -6.046 43.796 54.443 1.00106.62 C ATOM 121 O HIS 364 -5.021 43.731 55.120 1.00106.62 O ATOM 122 N SER 365 -7.191 43.169 54.777 1.00 74.27 N ATOM 123 CA SER 365 -7.392 42.408 55.976 1.00 74.27 C ATOM 124 CB SER 365 -8.820 41.852 56.066 1.00 74.27 C ATOM 125 OG SER 365 -9.766 42.904 55.939 1.00 74.27 O ATOM 126 C SER 365 -6.498 41.212 55.967 1.00 74.27 C ATOM 127 O SER 365 -5.910 40.859 56.988 1.00 74.27 O ATOM 128 N GLY 366 -6.380 40.549 54.801 1.00 17.11 N ATOM 129 CA GLY 366 -5.603 39.346 54.697 1.00 17.11 C ATOM 130 C GLY 366 -4.182 39.664 55.011 1.00 17.11 C ATOM 131 O GLY 366 -3.488 38.884 55.662 1.00 17.11 O ATOM 132 N HIS 367 -3.709 40.824 54.531 1.00 66.80 N ATOM 133 CA HIS 367 -2.353 41.220 54.753 1.00 66.80 C ATOM 134 ND1 HIS 367 -3.072 42.164 51.725 1.00 66.80 N ATOM 135 CG HIS 367 -1.944 42.297 52.505 1.00 66.80 C ATOM 136 CB HIS 367 -1.977 42.506 53.994 1.00 66.80 C ATOM 137 NE2 HIS 367 -1.331 41.989 50.352 1.00 66.80 N ATOM 138 CD2 HIS 367 -0.890 42.189 51.650 1.00 66.80 C ATOM 139 CE1 HIS 367 -2.648 41.981 50.449 1.00 66.80 C ATOM 140 C HIS 367 -2.158 41.449 56.218 1.00 66.80 C ATOM 141 O HIS 367 -1.103 41.130 56.764 1.00 66.80 O ATOM 142 N LEU 368 -3.177 42.003 56.901 1.00 36.34 N ATOM 143 CA LEU 368 -3.047 42.286 58.301 1.00 36.34 C ATOM 144 CB LEU 368 -4.319 42.903 58.911 0.50 36.34 C ATOM 145 CG LEU 368 -4.170 43.204 60.413 0.50 36.34 C ATOM 146 CD1 LEU 368 -3.084 44.268 60.644 0.50 36.34 C ATOM 147 CD2 LEU 368 -5.518 43.554 61.066 0.50 36.34 C ATOM 148 C LEU 368 -2.796 40.999 59.018 1.00 36.34 C ATOM 149 O LEU 368 -1.934 40.918 59.891 1.00 36.34 O ATOM 150 N LYS 369 -3.537 39.940 58.658 1.00151.88 N ATOM 151 CA LYS 369 -3.360 38.702 59.350 1.00151.88 C ATOM 152 CB LYS 369 -4.352 37.621 58.898 1.00151.88 C ATOM 153 CG LYS 369 -4.242 36.329 59.706 1.00151.88 C ATOM 154 CD LYS 369 -4.602 36.484 61.185 1.00151.88 C ATOM 155 CE LYS 369 -5.885 37.276 61.445 1.00151.88 C ATOM 156 NZ LYS 369 -5.592 38.729 61.469 1.00151.88 N ATOM 157 C LYS 369 -1.963 38.214 59.113 1.00151.88 C ATOM 158 O LYS 369 -1.306 37.727 60.031 1.00151.88 O ATOM 159 N THR 370 -1.462 38.360 57.871 1.00 81.45 N ATOM 160 CA THR 370 -0.155 37.877 57.519 1.00 81.45 C ATOM 161 CB THR 370 0.207 38.193 56.095 1.00 81.45 C ATOM 162 OG1 THR 370 -0.763 37.659 55.207 1.00 81.45 O ATOM 163 CG2 THR 370 1.592 37.594 55.789 1.00 81.45 C ATOM 164 C THR 370 0.855 38.576 58.375 1.00 81.45 C ATOM 165 O THR 370 1.756 37.949 58.930 1.00 81.45 O ATOM 166 N HIS 371 0.706 39.905 58.515 1.00 38.10 N ATOM 167 CA HIS 371 1.631 40.705 59.263 1.00 38.10 C ATOM 168 ND1 HIS 371 3.474 43.452 59.457 1.00 38.10 N ATOM 169 CG HIS 371 2.253 43.064 59.963 1.00 38.10 C ATOM 170 CB HIS 371 1.271 42.199 59.233 1.00 38.10 C ATOM 171 NE2 HIS 371 3.306 44.358 61.481 1.00 38.10 N ATOM 172 CD2 HIS 371 2.168 43.625 61.199 1.00 38.10 C ATOM 173 CE1 HIS 371 4.062 44.225 60.406 1.00 38.10 C ATOM 174 C HIS 371 1.612 40.263 60.689 1.00 38.10 C ATOM 175 O HIS 371 2.658 40.177 61.328 1.00 38.10 O ATOM 176 N GLU 372 0.413 39.969 61.222 1.00 83.19 N ATOM 177 CA GLU 372 0.294 39.562 62.590 1.00 83.19 C ATOM 178 CB GLU 372 -1.127 39.102 62.957 1.00 83.19 C ATOM 179 CG GLU 372 -1.333 38.891 64.457 1.00 83.19 C ATOM 180 CD GLU 372 -1.508 40.259 65.098 1.00 83.19 C ATOM 181 OE1 GLU 372 -0.581 41.102 64.959 1.00 83.19 O ATOM 182 OE2 GLU 372 -2.571 40.482 65.736 1.00 83.19 O ATOM 183 C GLU 372 1.234 38.388 62.834 1.00 83.19 C ATOM 184 O GLU 372 2.119 38.523 63.721 1.00 83.19 O ATOM 185 OXT GLU 372 1.081 37.345 62.142 1.00 83.19 O