User input for job 693079

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample 1 model.

Partial threads

wt: 1 >query -----CKS-----GGAWC---------GFD-------------------PHG------------------------CCGN-----CG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CL-VG------------------------------------------FCYGTG---------------------------------------------------------------------------------C >5M8L QFPRQCATVEALRSGMCCPDLSPVSGPGTDRCGSSSGRGRCEAVTADSRPHSPQYPHDGRDDREVWPLRFFNRTCHCNGNFSGHNCGTCRPGWRGAACDQRVLIVRRNLLDLSKEEKNHFVRALDMAKRTTHPLFVIATRRSEEILGPDGNTPQFENISIYNYFVWTHYYSVKKTFLGVGQESFGEVDFSHEGPAFLTWHRYHLLRLEKDMQEMLQEPSFSLPYWNFATGKNVCDICTDDLMGSRSNFDSTLISPNSVFSQWRVVCDSLEDYDTLGTLCNSTEDGPIRRNPAGNVARPMVQRLPEPQDVAQCLEVGLFDTPPFYSNSTNSFRNTVEGYSDPTGKYDPAVRSLHNLAHLFLNGTGGQTHLSPNDPIFVLLHTFTDAVFDEWLRRYNADISTFPLENAPIGHNRQYNMVPFWPPVTNTEMFVTAPDNLGYTYEIQWPS ATOM 48 N CYS A 1 29.303 168.991 207.717 1.00 32.27 N ATOM 49 CA CYS A 1 28.283 168.456 206.830 1.00 29.75 C ATOM 50 C CYS A 1 27.043 167.999 207.582 1.00 33.91 C ATOM 51 O CYS A 1 26.052 167.639 206.954 1.00 34.17 O ATOM 52 CB CYS A 1 28.834 167.285 206.003 1.00 29.68 C ATOM 54 N LYS A 2 27.072 167.996 208.906 1.00 35.14 N ATOM 55 CA LYS A 2 25.910 167.605 209.696 1.00 33.63 C ATOM 56 C LYS A 2 25.029 168.790 210.028 1.00 36.74 C ATOM 57 O LYS A 2 24.539 168.918 211.144 1.00 36.54 O ATOM 58 CB LYS A 2 26.355 166.889 210.955 1.00 30.72 C ATOM 59 N SER A 3 24.858 169.692 209.073 1.00 40.61 N ATOM 60 CA SER A 3 24.043 170.886 209.200 1.00 40.82 C ATOM 61 C SER A 3 22.802 170.740 208.338 1.00 41.07 C ATOM 62 O SER A 3 22.680 169.811 207.542 1.00 40.55 O ATOM 63 CB SER A 3 24.826 172.130 208.790 1.00 37.98 C ATOM 106 N GLY A 4 21.327 170.293 200.629 1.00 45.73 N ATOM 107 CA GLY A 4 22.021 170.398 199.351 1.00 38.15 C ATOM 108 C GLY A 4 22.524 169.066 198.842 1.00 37.87 C ATOM 109 O GLY A 4 22.842 168.960 197.661 1.00 40.64 O ATOM 112 N GLY A 5 22.595 168.048 199.689 1.00 39.54 N ATOM 113 CA GLY A 5 23.157 166.786 199.263 1.00 40.02 C ATOM 114 C GLY A 5 24.653 166.811 199.068 1.00 36.88 C ATOM 115 O GLY A 5 25.216 165.837 198.571 1.00 33.83 O ATOM 116 N ALA A 6 25.318 167.877 199.499 1.00 35.14 N ATOM 117 CA ALA A 6 26.733 168.096 199.232 1.00 38.32 C ATOM 118 C ALA A 6 27.520 168.143 200.538 1.00 38.85 C ATOM 119 O ALA A 6 27.248 168.972 201.415 1.00 35.20 O ATOM 120 CB ALA A 6 26.935 169.388 198.445 1.00 35.06 C ATOM 124 N TRP A 7 28.516 167.277 200.650 1.00 36.28 N ATOM 125 CA TRP A 7 29.471 167.316 201.753 1.00 35.95 C ATOM 126 C TRP A 7 30.826 167.607 201.135 1.00 32.22 C ATOM 127 O TRP A 7 31.590 166.694 200.833 1.00 33.76 O ATOM 128 CB TRP A 7 29.483 166.021 202.538 1.00 32.52 C ATOM 130 N CYS A 8 31.105 168.892 200.949 1.00 34.18 N ATOM 131 CA CYS A 8 32.344 169.368 200.330 1.00 30.59 C ATOM 132 C CYS A 8 32.833 170.573 201.108 1.00 31.62 C ATOM 133 O CYS A 8 32.748 171.713 200.645 1.00 32.91 O ATOM 134 CB CYS A 8 32.130 169.716 198.856 1.00 27.91 C ATOM 196 N GLY A 9 32.572 178.753 201.130 1.00 51.54 N ATOM 197 CA GLY A 9 32.368 178.047 199.888 1.00 43.53 C ATOM 198 C GLY A 9 33.424 178.288 198.838 1.00 48.42 C ATOM 199 O GLY A 9 33.303 177.758 197.727 1.00 49.16 O ATOM 200 N PHE A 10 34.466 179.046 199.147 1.00 47.66 N ATOM 201 CA PHE A 10 35.429 179.446 198.136 1.00 53.10 C ATOM 202 C PHE A 10 36.680 178.592 198.139 1.00 53.01 C ATOM 203 O PHE A 10 37.577 178.829 197.328 1.00 51.82 O ATOM 204 CB PHE A 10 35.797 180.914 198.312 1.00 54.11 C ATOM 207 N ASP A 11 36.774 177.626 199.044 1.00 51.34 N ATOM 208 CA ASP A 11 37.864 176.666 199.036 1.00 47.63 C ATOM 209 C ASP A 11 37.326 175.274 199.327 1.00 44.87 C ATOM 210 O ASP A 11 37.886 174.527 200.130 1.00 42.63 O ATOM 211 CB ASP A 11 38.959 177.054 200.030 1.00 45.62 C ATOM 348 N PRO A 12 23.984 144.627 191.517 1.00 43.17 N ATOM 349 CA PRO A 12 23.071 143.851 192.357 1.00 39.96 C ATOM 350 C PRO A 12 23.758 143.118 193.497 1.00 41.84 C ATOM 351 O PRO A 12 24.934 142.755 193.435 1.00 39.37 O ATOM 352 CB PRO A 12 22.456 142.854 191.374 1.00 37.38 C ATOM 355 N HIS A 13 22.972 142.858 194.530 1.00 39.56 N ATOM 356 CA HIS A 13 23.394 142.124 195.705 1.00 38.92 C ATOM 357 C HIS A 13 22.591 140.841 195.813 1.00 38.80 C ATOM 358 O HIS A 13 21.607 140.640 195.112 1.00 43.35 O ATOM 359 CB HIS A 13 23.207 142.966 196.967 1.00 35.12 C ATOM 365 N GLY A 14 23.026 139.976 196.711 1.00 37.09 N ATOM 366 CA GLY A 14 22.363 138.708 196.930 1.00 39.31 C ATOM 367 C GLY A 14 20.899 138.926 197.308 1.00 41.70 C ATOM 368 O GLY A 14 20.530 139.988 197.811 1.00 38.67 O ATOM 586 N CYS A 15 40.255 164.071 196.288 1.00 30.63 N ATOM 587 CA CYS A 15 41.503 164.758 196.530 1.00 28.66 C ATOM 588 C CYS A 15 42.509 164.329 195.469 1.00 32.97 C ATOM 589 O CYS A 15 42.556 163.163 195.069 1.00 34.90 O ATOM 590 CB CYS A 15 42.003 164.463 197.943 1.00 28.08 C ATOM 592 N CYS A 16 43.313 165.276 195.019 1.00 34.63 N ATOM 593 CA CYS A 16 44.246 165.057 193.926 1.00 37.27 C ATOM 594 C CYS A 16 45.565 164.518 194.458 1.00 43.29 C ATOM 595 O CYS A 16 46.057 164.963 195.494 1.00 46.81 O ATOM 596 CB CYS A 16 44.463 166.377 193.182 1.00 34.90 C ATOM 600 N GLY A 17 46.152 163.584 193.726 1.00 43.38 N ATOM 601 CA GLY A 17 47.463 163.087 194.088 1.00 38.31 C ATOM 602 C GLY A 17 47.424 162.343 195.396 1.00 43.73 C ATOM 603 O GLY A 17 46.554 161.498 195.629 1.00 44.88 O ATOM 604 N ASN A 18 48.363 162.663 196.282 1.00 40.35 N ATOM 605 CA ASN A 18 48.438 162.003 197.576 1.00 38.77 C ATOM 606 C ASN A 18 47.801 162.816 198.693 1.00 35.53 C ATOM 607 O ASN A 18 47.996 162.509 199.865 1.00 33.50 O ATOM 608 CB ASN A 18 49.888 161.654 197.888 1.00 40.35 C ATOM 651 N CYS A 19 40.242 167.411 201.899 1.00 31.85 N ATOM 652 CA CYS A 19 41.578 167.262 201.309 1.00 29.94 C ATOM 653 C CYS A 19 42.680 168.000 202.063 1.00 28.67 C ATOM 654 O CYS A 19 43.687 168.374 201.478 1.00 29.85 O ATOM 655 CB CYS A 19 41.565 167.692 199.844 1.00 25.16 C ATOM 657 N GLY A 20 42.532 168.170 203.366 1.00 29.53 N ATOM 658 CA GLY A 20 43.497 168.883 204.162 1.00 28.79 C ATOM 659 C GLY A 20 44.571 168.042 204.814 1.00 32.72 C ATOM 660 O GLY A 20 45.369 168.581 205.577 1.00 31.58 O ATOM 2472 N CYS A 21 45.160 128.386 207.467 1.00 40.19 N ATOM 2473 CA CYS A 21 44.294 129.309 206.747 1.00 39.37 C ATOM 2474 C CYS A 21 45.058 130.071 205.676 1.00 36.19 C ATOM 2475 O CYS A 21 44.473 130.465 204.665 1.00 35.98 O ATOM 2476 CB CYS A 21 43.602 130.262 207.719 1.00 33.03 C ATOM 2478 N LEU A 22 46.353 130.278 205.864 1.00 34.61 N ATOM 2479 CA LEU A 22 47.134 130.907 204.814 1.00 39.49 C ATOM 2480 C LEU A 22 47.425 129.972 203.645 1.00 40.86 C ATOM 2481 O LEU A 22 47.997 130.422 202.665 1.00 36.40 O ATOM 2482 CB LEU A 22 48.439 131.464 205.382 1.00 34.37 C ATOM 2495 N VAL A 23 44.911 128.618 202.042 1.00 39.25 N ATOM 2496 CA VAL A 23 43.703 128.789 201.247 1.00 36.59 C ATOM 2497 C VAL A 23 43.942 129.900 200.230 1.00 39.75 C ATOM 2498 O VAL A 23 44.126 131.061 200.599 1.00 42.00 O ATOM 2499 CB VAL A 23 42.498 129.087 202.150 1.00 31.61 C ATOM 2502 N GLY A 24 43.932 129.547 198.949 1.00 38.60 N ATOM 2503 CA GLY A 24 44.431 130.428 197.917 1.00 31.56 C ATOM 2504 C GLY A 24 43.418 131.353 197.297 1.00 29.01 C ATOM 2505 O GLY A 24 43.791 132.362 196.717 1.00 33.22 O ATOM 2841 N PHE A 25 35.825 133.585 222.815 1.00 32.00 N ATOM 2842 CA PHE A 25 36.664 133.242 223.953 1.00 31.64 C ATOM 2843 C PHE A 25 36.491 134.232 225.084 1.00 30.77 C ATOM 2844 O PHE A 25 36.589 133.858 226.250 1.00 32.31 O ATOM 2845 CB PHE A 25 38.130 133.200 223.515 1.00 29.79 C ATOM 2852 N CYS A 26 36.244 135.498 224.756 1.00 30.91 N ATOM 2853 CA CYS A 26 36.146 136.535 225.772 1.00 29.51 C ATOM 2854 C CYS A 26 34.897 136.395 226.623 1.00 27.62 C ATOM 2855 O CYS A 26 34.868 136.930 227.728 1.00 31.40 O ATOM 2856 CB CYS A 26 36.194 137.919 225.123 1.00 28.65 C ATOM 2860 N TYR A 27 33.885 135.688 226.134 1.00 28.39 N ATOM 2861 CA TYR A 27 32.657 135.392 226.866 1.00 32.75 C ATOM 2862 C TYR A 27 32.103 136.633 227.552 1.00 32.52 C ATOM 2863 O TYR A 27 31.937 136.694 228.765 1.00 33.57 O ATOM 2864 CB TYR A 27 32.895 134.258 227.854 1.00 33.90 C ATOM 2868 N GLY A 28 31.837 137.639 226.743 1.00 32.15 N ATOM 2869 CA GLY A 28 31.347 138.883 227.279 1.00 32.11 C ATOM 2870 C GLY A 28 31.039 139.913 226.225 1.00 30.58 C ATOM 2871 O GLY A 28 30.601 139.581 225.131 1.00 27.71 O ATOM 2872 N THR A 29 31.291 141.172 226.562 1.00 28.33 N ATOM 2873 CA THR A 29 31.076 142.260 225.629 1.00 25.43 C ATOM 2874 C THR A 29 31.780 142.008 224.307 1.00 26.45 C ATOM 2875 O THR A 29 31.244 142.323 223.241 1.00 26.31 O ATOM 2876 CB THR A 29 31.580 143.561 226.247 1.00 25.63 C ATOM 2879 N GLY A 30 32.986 141.447 224.355 1.00 31.69 N ATOM 2880 CA GLY A 30 33.772 141.265 223.149 1.00 29.93 C ATOM 2881 C GLY A 30 33.241 140.222 222.193 1.00 30.21 C ATOM 2882 O GLY A 30 33.718 140.149 221.060 1.00 32.69 O ATOM 3555 N CYS A 31 55.901 127.862 210.322 1.00 61.14 N ATOM 3556 CA CYS A 31 56.284 127.006 209.202 1.00 67.91 C ATOM 3557 C CYS A 31 57.428 126.089 209.623 1.00 71.28 C ATOM 3558 O CYS A 31 57.298 124.866 209.617 1.00 71.76 O ATOM 3559 CB CYS A 31 56.693 127.829 207.971 1.00 72.87 C TER END

Sequence

CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC

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