******************************************************************************* * * Library of 50 fragments, each 7 residues long * ******************************************************************************* ******************************************************************************* * REFERENCE ******************************************************************************* * * If you use this data in research, please cite: * * Rachel Kolodny, Patrice Koehl, Leonidas Guibas, Michael Levitt * Small Libraries of Protein Fragments Accurately Model Native Protein * Structures ******************************************************************************* ****************************************************************************** * Cluster number: 0 * Size (out of 1.0): 0.008089 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.442 35.506 20.666 48.369 35.746 16.868 50.206 32.365 17.015 47.277 30.773 18.823 45.143 28.229 16.888 41.890 29.551 18.418 42.952 33.078 17.417 ****************************************************************************** * Cluster number: 1 * Size (out of 1.0): 0.239397 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.906 34.591 20.684 47.415 35.778 18.020 48.049 32.622 15.963 47.619 30.365 18.993 44.357 32.145 19.866 43.036 31.722 16.321 43.897 28.024 16.249 ****************************************************************************** * Cluster number: 2 * Size (out of 1.0): 0.010713 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 47.787 35.985 19.635 51.286 35.539 18.275 51.642 32.077 16.786 48.463 30.622 18.247 44.945 30.989 16.900 41.759 30.451 18.892 38.398 29.586 17.360 ****************************************************************************** * Cluster number: 3 * Size (out of 1.0): 0.006996 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 46.549 36.132 19.597 50.145 35.184 18.718 49.238 31.533 18.081 46.819 30.969 15.154 45.171 28.126 17.058 44.082 30.460 19.920 42.275 32.843 17.567 ****************************************************************************** * Cluster number: 4 * Size (out of 1.0): 0.014211 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.880 36.627 21.232 49.492 33.195 19.573 46.965 33.918 16.832 46.942 30.395 15.419 45.922 29.111 18.877 43.049 31.614 18.827 42.028 30.388 15.335 ****************************************************************************** * Cluster number: 5 * Size (out of 1.0): 0.013555 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.501 34.569 20.702 46.785 34.990 18.070 48.205 32.176 15.948 48.586 30.007 19.081 44.934 30.552 20.001 43.812 29.713 16.452 42.456 33.242 15.842 ****************************************************************************** * Cluster number: 6 * Size (out of 1.0): 0.029515 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.080 35.566 21.824 49.680 34.066 18.695 47.544 33.380 15.557 47.437 29.609 16.180 46.047 30.042 19.721 43.399 32.454 18.435 42.092 30.131 15.683 ****************************************************************************** * Cluster number: 7 * Size (out of 1.0): 0.016616 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.812 37.663 19.648 49.518 33.931 19.595 49.936 32.288 16.176 48.627 28.871 17.286 45.510 30.281 19.018 42.582 30.394 16.575 39.295 31.820 17.797 ****************************************************************************** * Cluster number: 8 * Size (out of 1.0): 0.007215 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.149 37.063 18.782 51.251 34.851 18.981 48.921 31.840 19.056 47.820 31.150 15.461 45.323 28.495 16.528 43.178 30.373 19.023 39.637 31.477 18.264 ****************************************************************************** * Cluster number: 9 * Size (out of 1.0): 0.006777 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.036 38.173 18.331 51.431 34.867 19.693 48.306 32.805 18.958 48.791 29.921 16.540 45.070 28.982 16.618 42.095 30.966 17.926 38.550 29.534 18.029 ****************************************************************************** * Cluster number: 10 * Size (out of 1.0): 0.011587 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.639 36.822 17.658 51.007 33.403 18.596 47.688 32.072 19.927 45.560 33.386 17.114 45.075 30.088 15.263 43.860 28.326 18.391 41.451 31.151 19.146 ****************************************************************************** * Cluster number: 11 * Size (out of 1.0): 0.012024 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 46.651 34.947 18.338 50.347 35.506 17.610 50.871 31.820 18.514 48.299 30.861 15.918 45.713 29.714 18.436 42.162 30.436 17.196 40.237 31.963 20.083 ****************************************************************************** * Cluster number: 12 * Size (out of 1.0): 0.037167 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 54.563 37.685 20.102 51.521 36.254 18.246 48.723 33.907 19.278 46.887 31.363 17.216 43.321 30.450 18.288 41.482 27.491 16.671 37.782 28.098 16.293 ****************************************************************************** * Cluster number: 13 * Size (out of 1.0): 0.025361 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 51.320 37.249 20.934 52.661 35.914 17.623 50.022 33.209 17.073 46.262 32.955 17.656 44.300 29.696 17.785 40.684 29.553 16.558 39.031 26.672 18.466 ****************************************************************************** * Cluster number: 14 * Size (out of 1.0): 0.013992 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.589 38.974 19.174 50.618 35.299 19.174 48.537 32.881 17.096 46.996 29.637 18.331 44.736 27.296 16.344 41.436 28.799 17.510 42.367 32.363 18.467 ****************************************************************************** * Cluster number: 15 * Size (out of 1.0): 0.016616 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.467 36.252 19.998 49.065 35.012 16.365 49.665 31.372 17.429 46.633 31.446 19.730 44.183 33.004 17.280 43.200 29.591 15.885 42.065 28.570 19.409 ****************************************************************************** * Cluster number: 16 * Size (out of 1.0): 0.008964 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 46.684 35.580 18.489 49.844 35.256 16.472 50.833 32.035 18.246 47.326 30.571 18.925 45.047 30.133 15.871 42.065 29.280 17.963 42.479 32.392 20.130 ****************************************************************************** * Cluster number: 17 * Size (out of 1.0): 0.005903 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.101 36.787 19.807 50.292 35.257 16.514 50.802 31.917 18.266 47.045 31.353 18.561 45.340 29.195 15.976 41.779 29.057 17.478 39.921 31.682 19.495 ****************************************************************************** * Cluster number: 18 * Size (out of 1.0): 0.012899 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.607 38.129 20.312 50.399 35.643 17.442 48.053 32.786 18.410 48.672 29.206 17.337 45.059 28.067 17.674 41.766 29.485 16.451 39.723 31.932 18.469 ****************************************************************************** * Cluster number: 19 * Size (out of 1.0): 0.015960 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 51.214 35.501 19.946 47.451 34.924 20.237 46.997 33.720 16.632 47.823 30.073 17.279 44.976 29.994 19.829 42.527 31.733 17.470 43.291 29.304 14.702 ****************************************************************************** * Cluster number: 20 * Size (out of 1.0): 0.020988 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.653 35.108 20.892 48.252 35.406 17.947 49.788 32.307 16.262 48.606 30.265 19.241 45.014 31.545 19.228 42.544 29.560 17.056 39.422 31.059 15.469 ****************************************************************************** * Cluster number: 21 * Size (out of 1.0): 0.008308 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.491 38.169 17.106 48.235 35.021 18.890 50.093 31.725 19.283 47.173 29.487 18.365 44.889 29.524 15.396 41.857 29.049 17.599 42.542 32.273 19.455 ****************************************************************************** * Cluster number: 22 * Size (out of 1.0): 0.025361 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.667 37.562 20.588 52.428 35.491 17.964 50.090 32.577 18.069 47.181 31.528 15.891 44.535 30.456 18.360 41.501 28.358 17.336 37.878 29.277 17.887 ****************************************************************************** * Cluster number: 23 * Size (out of 1.0): 0.036511 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 53.620 38.663 19.196 51.827 35.448 20.076 49.428 33.737 17.610 46.541 31.546 18.788 44.351 29.513 16.433 40.696 29.293 17.520 37.814 27.048 16.472 ****************************************************************************** * Cluster number: 24 * Size (out of 1.0): 0.017490 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 51.801 38.279 19.689 49.595 35.183 19.455 51.139 32.111 17.861 47.854 30.170 17.548 44.218 31.300 17.359 41.487 28.719 17.984 38.184 29.485 16.200 ****************************************************************************** * Cluster number: 25 * Size (out of 1.0): 0.021425 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.410 34.364 20.794 47.681 35.599 18.463 48.485 32.828 15.996 48.368 30.262 18.784 44.886 31.189 20.030 43.276 31.956 16.672 41.174 29.051 15.356 ****************************************************************************** * Cluster number: 26 * Size (out of 1.0): 0.012680 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 47.092 34.590 20.397 47.772 34.405 16.657 50.752 32.098 17.074 48.643 29.768 19.284 45.935 29.645 16.596 43.312 31.241 18.898 40.772 33.501 17.189 ****************************************************************************** * Cluster number: 27 * Size (out of 1.0): 0.012899 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.969 37.641 19.745 47.244 35.035 19.741 48.343 31.561 18.750 47.403 30.110 15.384 45.035 27.745 17.183 43.359 30.512 19.198 42.927 32.644 16.095 ****************************************************************************** * Cluster number: 28 * Size (out of 1.0): 0.012024 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.667 36.052 20.259 50.355 35.858 16.845 51.182 32.159 17.175 47.883 31.147 18.753 45.082 29.330 16.949 41.833 31.332 17.052 39.276 29.370 19.063 ****************************************************************************** * Cluster number: 29 * Size (out of 1.0): 0.031920 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 52.879 39.077 19.431 51.360 35.610 19.811 49.908 33.049 17.487 46.709 31.280 18.367 44.494 28.791 16.573 40.914 29.923 16.975 38.016 27.517 17.451 ****************************************************************************** * Cluster number: 30 * Size (out of 1.0): 0.004591 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.771 36.783 21.410 49.832 33.580 19.591 47.977 34.262 16.363 46.842 30.645 15.849 45.364 30.349 19.369 41.707 30.879 18.350 41.786 28.750 15.163 ****************************************************************************** * Cluster number: 31 * Size (out of 1.0): 0.016178 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 53.620 37.749 18.145 50.305 36.455 19.533 49.937 32.679 19.146 46.656 31.828 17.373 44.286 28.915 17.944 41.135 27.967 15.976 38.341 29.655 17.977 ****************************************************************************** * Cluster number: 32 * Size (out of 1.0): 0.014211 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.957 37.671 19.896 47.958 35.427 19.212 48.902 31.746 19.040 47.969 29.933 15.833 45.203 27.760 17.296 43.109 30.730 18.460 40.180 31.982 16.357 ****************************************************************************** * Cluster number: 33 * Size (out of 1.0): 0.009401 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 47.699 36.145 18.289 51.402 35.288 18.586 50.923 31.524 18.240 47.937 31.937 15.899 45.463 29.915 17.985 41.725 29.902 17.170 39.130 30.536 19.926 ****************************************************************************** * Cluster number: 34 * Size (out of 1.0): 0.010057 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.692 34.610 20.901 47.135 34.553 17.421 49.839 32.218 16.106 49.193 29.797 18.969 45.397 30.001 19.430 43.829 31.550 16.302 40.194 32.519 16.966 ****************************************************************************** * Cluster number: 35 * Size (out of 1.0): 0.012024 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.805 37.784 20.394 48.136 35.489 18.992 47.817 31.730 18.994 47.082 30.490 15.515 45.124 27.620 17.014 42.983 29.973 19.116 42.331 32.161 16.070 ****************************************************************************** * Cluster number: 36 * Size (out of 1.0): 0.017490 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 51.672 37.348 16.835 50.848 34.816 19.546 47.132 34.135 18.994 46.296 30.400 19.225 45.287 28.664 15.998 41.726 28.105 17.352 41.317 31.780 18.145 ****************************************************************************** * Cluster number: 37 * Size (out of 1.0): 0.029296 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 52.350 38.454 19.002 50.592 35.171 19.820 48.111 33.504 17.454 46.118 30.644 18.959 44.980 28.045 16.422 41.414 27.959 17.769 40.713 31.472 16.668 ****************************************************************************** * Cluster number: 38 * Size (out of 1.0): 0.010057 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 46.767 36.768 18.883 49.433 34.118 19.465 50.583 32.001 16.538 48.683 28.719 16.467 45.956 29.904 18.848 42.410 30.275 17.504 40.447 33.462 18.391 ****************************************************************************** * Cluster number: 39 * Size (out of 1.0): 0.006340 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 45.734 35.041 16.456 48.305 34.462 19.209 51.022 31.935 18.480 49.455 28.983 16.685 45.924 29.533 18.019 42.953 31.782 17.293 40.886 33.512 19.952 ****************************************************************************** * Cluster number: 40 * Size (out of 1.0): 0.019458 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.728 34.042 20.907 46.693 35.218 18.996 47.727 33.246 15.905 48.351 30.055 17.853 45.309 30.190 20.150 42.680 31.741 17.893 43.791 30.757 14.391 ****************************************************************************** * Cluster number: 41 * Size (out of 1.0): 0.013992 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 50.046 35.859 20.887 50.633 36.096 17.127 51.169 32.323 17.163 47.894 31.520 18.892 44.952 30.262 16.851 41.419 30.313 18.257 38.166 28.874 16.917 ****************************************************************************** * Cluster number: 42 * Size (out of 1.0): 0.006559 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.836 36.044 21.400 49.372 35.864 17.643 49.005 32.090 18.119 47.009 30.472 15.320 45.414 28.143 17.868 43.364 30.975 19.423 41.280 31.660 16.322 ****************************************************************************** * Cluster number: 43 * Size (out of 1.0): 0.026235 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 53.401 38.012 20.689 51.713 35.992 17.956 49.011 33.508 18.921 47.219 30.813 16.954 43.536 30.823 17.931 41.467 27.670 17.427 37.932 28.430 16.216 ****************************************************************************** * Cluster number: 44 * Size (out of 1.0): 0.007215 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 48.971 38.178 19.144 47.141 35.047 18.003 48.280 31.576 19.013 48.368 28.457 16.828 44.673 27.736 17.316 43.854 31.285 16.238 42.992 32.969 19.553 ****************************************************************************** * Cluster number: 45 * Size (out of 1.0): 0.015960 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 52.008 38.281 20.440 50.863 35.682 17.907 47.938 33.322 18.482 48.458 29.559 17.891 44.849 28.701 16.987 41.711 30.827 16.959 38.452 28.875 17.428 ****************************************************************************** * Cluster number: 46 * Size (out of 1.0): 0.018365 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 49.313 37.963 18.408 50.520 34.815 20.180 51.051 32.351 17.305 47.954 30.281 17.958 44.762 29.200 16.252 42.095 30.990 18.273 38.584 29.648 17.719 ****************************************************************************** * Cluster number: 47 * Size (out of 1.0): 0.016834 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 54.309 36.952 20.074 50.637 36.608 19.139 49.244 33.153 18.441 45.800 32.492 17.011 44.379 29.295 18.417 41.253 27.437 17.489 38.658 29.311 15.525 ****************************************************************************** * Cluster number: 48 * Size (out of 1.0): 0.004373 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 47.265 36.025 21.167 48.619 35.481 17.675 49.024 31.704 17.993 47.040 30.052 15.172 45.009 27.990 17.640 44.293 31.063 19.754 43.029 32.933 16.693 ****************************************************************************** * Cluster number: 49 * Size (out of 1.0): 0.017272 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 53.074 37.899 20.618 51.354 36.200 17.642 49.250 33.341 19.004 47.556 30.668 16.857 44.106 29.630 18.049 41.041 27.684 17.016 37.898 29.826 16.909 ******************************************************************************