Job (61) information
Created on: 2014-10-05 09:33:00Status: Calculated
Results:
The compressed results file includes the top 100 complex PDB structures predicted by pyDockSAXS and their corresponding CRYSOL fit curves. Please, refer to the help section for further details.
Download (compressed tar.gz file):
| Conf | Ele | Desolv | VDW | pyDock | Crysol | pyDockSAXS | RANK |
|---|---|---|---|---|---|---|---|
| 6367 | -7.268 | -8.294 | 57.23 | -9.839 | 3.8 | 58.389 | 1 |
| 3057 | -10.327 | 0.673 | 22.29 | -7.425 | 3.604 | 59.02 | 2 |
| 16 | -7.341 | -9.325 | 76.99 | -8.967 | 4.806 | 67.762 | 3 |
| 3536 | 5.175 | -5.623 | 56.351 | 5.187 | 3.669 | 72.228 | 4 |
| 5503 | -8.398 | 11.501 | 43.408 | 7.444 | 3.614 | 73.981 | 5 |
| 4722 | -5.241 | -10.226 | 53.554 | -10.112 | 5.845 | 74.506 | 6 |
| 2636 | -6.273 | 14.214 | 1.569 | 8.097 | 3.655 | 75.01 | 7 |
| 2253 | -7.281 | 11.796 | 50.262 | 9.541 | 3.669 | 76.582 | 8 |
| 8008 | -8.994 | 6.053 | 19.842 | -0.957 | 5.026 | 77.509 | 9 |
| 2637 | -8.721 | -0.215 | 16.322 | -7.304 | 5.999 | 78.421 | 10 |
| 2634 | -6.511 | 0.344 | 104.84 | 4.317 | 4.632 | 79.644 | 11 |
| 9144 | 1.303 | 7.433 | 12.219 | 9.959 | 4.337 | 82.848 | 12 |
| 5913 | -8.111 | 11.122 | 60.6 | 9.071 | 4.566 | 83.86 | 13 |
| 995 | -6.631 | -9.649 | 98.605 | -6.419 | 6.668 | 83.96 | 14 |
| 7332 | -4.623 | -1.674 | 27.115 | -3.585 | 6.333 | 84.494 | 15 |
| 6908 | -5.063 | 10.098 | 26.201 | 7.655 | 4.92 | 85.289 | 16 |
| 9725 | -1.402 | 12.315 | 22.138 | 13.127 | 4.496 | 87.34 | 17 |
| 2618 | -14.482 | -6.41 | 47.451 | -16.146 | 8.827 | 87.84 | 18 |
| 1952 | -4.201 | 0.713 | 48.687 | 1.38 | 6.406 | 89.965 | 19 |
| 1245 | -6.787 | -9.588 | 47.038 | -11.67 | 8.565 | 90.761 | 20 |
| 782 | -13.767 | -8.985 | 17.653 | -20.987 | 10.201 | 90.8 | 21 |
| 184 | -9.113 | -9.458 | 48.245 | -13.747 | 9.017 | 91.352 | 22 |
| 5498 | -4.581 | 8.917 | 68.954 | 11.231 | 5.259 | 91.495 | 23 |
| 6861 | -7.97 | 3.172 | 24.083 | -2.389 | 7.424 | 92.976 | 24 |
| 7362 | 1.495 | 8.935 | 7.52 | 11.182 | 5.647 | 94.354 | 25 |
| 4125 | -4.252 | 0.47 | 35.026 | -0.279 | 7.355 | 94.641 | 26 |
| 5120 | -13.792 | -0.131 | 67.671 | -7.156 | 8.476 | 94.741 | 27 |
| 1681 | -8.853 | -7.224 | 75.021 | -8.575 | 8.917 | 95.94 | 28 |
| 6427 | -3.273 | 10.159 | 42.6 | 11.146 | 5.908 | 96.218 | 29 |
| 380 | -9.959 | 11.686 | 21.215 | 3.849 | 7.159 | 97.496 | 30 |
| 5474 | -5.368 | 9.835 | 27.573 | 7.224 | 6.989 | 99.753 | 31 |
| 1694 | -8.846 | 11.266 | -10.124 | 1.407 | 8.241 | 101.882 | 32 |
| 3063 | -10.463 | 13.695 | 32.292 | 6.461 | 7.68 | 103.456 | 33 |
| 2102 | -6.466 | -0.024 | 67.03 | 0.213 | 8.858 | 104.381 | 34 |
| 6868 | -8.587 | -0.519 | 45.38 | -4.568 | 9.748 | 104.708 | 35 |
| 3060 | -3.872 | -1.167 | 35.894 | -1.449 | 9.691 | 107.507 | 36 |
| 3067 | -1.756 | 13.527 | 36.471 | 15.418 | 6.925 | 107.522 | 37 |
| 7911 | -12.461 | -4.449 | 31.255 | -13.785 | 12.247 | 108.7 | 38 |
| 2106 | -1.452 | 12.402 | 9.81 | 11.931 | 7.697 | 109.033 | 39 |
| 5094 | -6.873 | 3.879 | 11.173 | -1.877 | 10.554 | 111.827 | 40 |
| 3077 | -5.314 | -3.076 | 57.39 | -2.652 | 10.705 | 111.863 | 41 |
| 2858 | -0.944 | -2.565 | 33.17 | -0.191 | 10.506 | 113.254 | 42 |
| 3051 | -8.986 | -1.058 | 26.581 | -7.386 | 12.124 | 114.482 | 43 |
| 9183 | -9.033 | 7.07 | 29.154 | 0.953 | 10.716 | 115.527 | 44 |
| 7402 | -9.835 | -1.928 | 9.978 | -10.765 | 13.105 | 115.938 | 45 |
| 5940 | -5.354 | 8.717 | 39.392 | 7.302 | 9.784 | 116.78 | 46 |
| 8489 | -1.164 | -10.373 | 61.633 | -5.373 | 12.575 | 118.741 | 47 |
| 554 | -0.052 | -0.525 | 52.267 | 4.65 | 10.703 | 119.154 | 48 |
| 5518 | -2.222 | 10.891 | 22.155 | 10.884 | 9.647 | 119.593 | 49 |
| 7363 | 0.483 | -5.643 | 56.749 | 0.515 | 11.593 | 119.685 | 50 |
| 797 | 5.923 | 2.843 | 42.362 | 13.002 | 9.689 | 121.947 | 51 |
| 7970 | -1.528 | 9.802 | 29.602 | 11.234 | 10.048 | 122.179 | 52 |
| 3561 | -10.595 | 7.835 | 28.546 | 0.095 | 12.428 | 123.482 | 53 |
| 9184 | -12.447 | 8.897 | 15.123 | -2.038 | 13.007 | 124.19 | 54 |
| 866 | -5.972 | 7.134 | 48.247 | 5.987 | 11.515 | 124.755 | 55 |
| 1452 | 0.15 | 15.769 | 17.744 | 17.694 | 9.58 | 126.025 | 56 |
| 7431 | -7.702 | 3.735 | 33.387 | -0.629 | 13.194 | 126.503 | 57 |
| 4759 | -9.123 | -0.263 | 60.691 | -3.317 | 13.822 | 126.806 | 58 |
| 1464 | -2.793 | 2.561 | 55.218 | 5.289 | 12.103 | 127.052 | 59 |
| 6905 | -6.02 | 6.832 | 39.647 | 4.776 | 12.212 | 127.086 | 60 |
| 9650 | -9.188 | -6.62 | 32.391 | -12.568 | 16.1 | 127.869 | 61 |
| 738 | -10.452 | 8.654 | 82.516 | 6.453 | 12.097 | 128.186 | 62 |
| 2818 | -8.024 | -7.088 | 21.212 | -12.991 | 16.295 | 128.294 | 63 |
| 2645 | -6.217 | 2.255 | 25.068 | -1.456 | 13.851 | 128.803 | 64 |
| 4099 | -3.482 | -7.878 | 42.517 | -7.107 | 15.243 | 129.541 | 65 |
| 3294 | -10.002 | 12.343 | 18.406 | 4.182 | 12.913 | 129.953 | 66 |
| 5519 | -3.934 | 8.622 | 43.622 | 9.051 | 11.977 | 130.178 | 67 |
| 1555 | -5.523 | 3.449 | 46.219 | 2.549 | 13.343 | 130.397 | 68 |
| 6867 | -8.115 | 11.971 | -0.745 | 3.782 | 13.329 | 131.563 | 69 |
| 6437 | -1.312 | 9.944 | 19.101 | 10.541 | 12.092 | 132.248 | 70 |
| 441 | -4.699 | -3.561 | 51.654 | -3.095 | 15.017 | 132.536 | 71 |
| 4116 | -5.904 | -3.025 | 22.842 | -6.645 | 15.932 | 133.057 | 72 |
| 3075 | -2.919 | -1.653 | 82.899 | 3.717 | 13.728 | 133.397 | 73 |
| 3040 | 1.931 | -4.628 | 44.243 | 1.728 | 14.21 | 133.665 | 74 |
| 476 | -12.678 | -6.957 | 34.513 | -16.184 | 18.529 | 134.475 | 75 |
| 8559 | -3.396 | 7.24 | 42.433 | 8.088 | 13.051 | 134.53 | 76 |
| 9794 | -10.652 | 13.369 | 29.667 | 5.684 | 13.569 | 134.61 | 77 |
| 3570 | -15.106 | 13.098 | 45.863 | 2.578 | 14.246 | 134.682 | 78 |
| 2408 | -8.327 | -0.23 | 58.016 | -2.755 | 15.443 | 134.787 | 79 |
| 4439 | -7.218 | 10.41 | 69.383 | 10.13 | 12.733 | 135.022 | 80 |
| 859 | -7.715 | -6.764 | 20.643 | -12.414 | 17.889 | 135.62 | 81 |
| 795 | -5.69 | 8.574 | 56.352 | 8.519 | 13.427 | 136.769 | 82 |
| 929 | -8.818 | 10.336 | 34.593 | 4.977 | 14.207 | 136.9 | 83 |
| 9772 | -4.596 | 2.043 | 4.72 | -2.081 | 15.932 | 137.621 | 84 |
| 1571 | 3.644 | 7.502 | 52.195 | 16.366 | 12.145 | 138.34 | 85 |
| 2247 | -7.984 | 14.415 | 5.833 | 7.013 | 14.083 | 138.359 | 86 |
| 3851 | -10.32 | 13.273 | 1.202 | 3.073 | 15.027 | 138.749 | 87 |
| 4740 | -8.208 | -2.311 | 50.339 | -5.485 | 17.08 | 139.163 | 88 |
| 4438 | -4.06 | 4.695 | 20.715 | 2.706 | 15.542 | 140.688 | 89 |
| 1249 | -3.744 | 2.764 | 49.912 | 4.011 | 15.439 | 141.535 | 90 |
| 6907 | 1.081 | 2.554 | 49.317 | 8.567 | 14.565 | 142.141 | 91 |
| 3502 | -7.78 | -4.326 | 34.175 | -8.688 | 18.576 | 142.162 | 92 |
| 9143 | -1.453 | 13.824 | 41.188 | 16.49 | 13.114 | 143.236 | 93 |
| 1804 | -6.804 | -6.287 | 57.001 | -7.391 | 18.84 | 144.527 | 94 |
| 6874 | -5.87 | -5.327 | 26.511 | -8.546 | 19.131 | 144.54 | 95 |
| 8507 | -0.003 | 0.019 | 23.718 | 2.388 | 16.528 | 144.679 | 96 |
| 9156 | -11.704 | -2.06 | 101.453 | -3.619 | 17.983 | 144.803 | 97 |
| 1352 | -6.823 | -3.433 | 19.836 | -8.272 | 19.246 | 145.274 | 98 |
| 4418 | -11.744 | 9.751 | 13.895 | -0.603 | 17.468 | 145.679 | 99 |
| 7347 | -6.269 | 0.138 | 18.725 | -4.258 | 18.417 | 145.945 | 100 |
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