******************************************************************************* * * Library of 40 fragments, each 5 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): 0.038097 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.685 13.622 -3.275 11.739 12.139 -0.417 12.271 14.283 2.708 15.002 13.478 5.214 16.132 15.089 8.449 ****************************************************************************** * Cluster number: 1 * Size (out of 1.0): 0.215830 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.668 14.735 -0.812 10.285 13.772 2.018 12.585 10.959 3.107 15.590 13.273 3.144 13.702 15.872 5.222 ****************************************************************************** * Cluster number: 2 * Size (out of 1.0): 0.039963 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.665 14.234 -1.160 10.372 14.277 1.881 12.160 11.230 3.303 15.503 13.036 3.242 14.129 15.833 5.413 ****************************************************************************** * Cluster number: 3 * Size (out of 1.0): 0.032499 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.367 13.625 -2.688 11.369 12.177 0.206 13.620 14.536 2.134 15.997 13.447 4.900 14.477 14.825 8.127 ****************************************************************************** * Cluster number: 4 * Size (out of 1.0): 0.029389 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.882 15.342 -1.633 12.223 12.351 0.660 11.069 12.184 4.287 14.606 12.710 5.615 15.049 16.025 3.750 ****************************************************************************** * Cluster number: 5 * Size (out of 1.0): 0.018038 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.194 14.699 -2.137 12.904 12.707 0.628 10.959 12.875 3.918 14.095 12.702 6.051 15.678 15.627 4.219 ****************************************************************************** * Cluster number: 6 * Size (out of 1.0): 0.016327 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.186 15.240 -0.877 11.925 11.804 -1.060 13.862 12.039 2.228 13.400 13.206 5.836 15.455 16.322 6.553 ****************************************************************************** * Cluster number: 7 * Size (out of 1.0): 0.023169 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.501 15.561 -0.090 10.245 12.777 1.193 13.065 10.717 2.747 15.598 13.294 3.888 13.420 16.262 4.941 ****************************************************************************** * Cluster number: 8 * Size (out of 1.0): 0.015705 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.301 14.033 -1.962 12.053 11.787 -0.580 13.494 14.341 1.829 14.706 13.072 5.206 15.275 15.378 8.186 ****************************************************************************** * Cluster number: 9 * Size (out of 1.0): 0.018660 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.498 14.575 -1.435 11.621 11.640 -0.213 14.106 13.811 1.671 15.421 12.949 5.131 14.182 15.635 7.525 ****************************************************************************** * Cluster number: 10 * Size (out of 1.0): 0.018349 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.350 12.839 -1.647 11.531 15.374 1.136 10.904 12.742 3.828 14.633 12.049 4.071 15.411 15.607 5.291 ****************************************************************************** * Cluster number: 11 * Size (out of 1.0): 0.006220 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.947 13.662 -2.549 12.741 12.665 -0.174 11.918 14.397 3.098 14.238 12.428 5.402 15.984 15.458 6.903 ****************************************************************************** * Cluster number: 12 * Size (out of 1.0): 0.017882 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.100 14.471 -2.687 12.646 12.756 0.363 10.684 12.616 3.603 13.724 13.188 5.848 16.675 15.581 5.553 ****************************************************************************** * Cluster number: 13 * Size (out of 1.0): 0.010885 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.601 13.298 -0.106 13.147 11.926 -0.197 14.495 15.102 1.451 12.415 14.823 4.643 15.171 13.462 6.889 ****************************************************************************** * Cluster number: 14 * Size (out of 1.0): 0.014772 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.742 14.405 -2.507 12.003 11.911 0.053 11.349 13.720 3.315 14.802 12.936 4.700 15.934 15.639 7.117 ****************************************************************************** * Cluster number: 15 * Size (out of 1.0): 0.018815 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.653 14.943 -0.659 11.735 11.707 -0.560 14.577 13.139 1.560 14.729 12.737 5.332 14.136 16.086 7.006 ****************************************************************************** * Cluster number: 16 * Size (out of 1.0): 0.023169 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.860 13.108 -3.317 11.388 12.237 0.352 11.468 14.363 3.476 14.841 15.560 4.726 16.273 13.343 7.442 ****************************************************************************** * Cluster number: 17 * Size (out of 1.0): 0.015083 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.631 15.258 -0.805 10.274 12.244 1.078 13.749 11.042 2.081 14.908 14.433 3.392 14.267 15.634 6.933 ****************************************************************************** * Cluster number: 18 * Size (out of 1.0): 0.013839 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.264 12.836 -2.111 12.727 14.885 0.691 10.937 13.479 3.568 13.907 12.151 5.561 15.992 15.260 4.970 ****************************************************************************** * Cluster number: 19 * Size (out of 1.0): 0.016638 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.457 15.012 -1.498 11.561 11.409 -0.802 13.450 12.107 2.385 13.212 14.650 5.159 16.148 15.433 7.435 ****************************************************************************** * Cluster number: 20 * Size (out of 1.0): 0.026434 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.406 13.743 -3.208 11.260 12.116 0.166 11.968 14.151 3.307 15.600 13.652 4.416 15.595 14.950 7.998 ****************************************************************************** * Cluster number: 21 * Size (out of 1.0): 0.038252 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.395 13.946 -2.892 11.413 12.017 -0.327 13.281 14.027 2.294 15.552 13.254 5.232 15.189 15.367 8.373 ****************************************************************************** * Cluster number: 22 * Size (out of 1.0): 0.012906 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.472 15.181 0.572 12.267 12.078 -0.674 14.865 12.098 2.093 12.578 13.081 4.916 14.646 16.172 5.771 ****************************************************************************** * Cluster number: 23 * Size (out of 1.0): 0.004354 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.705 12.440 -1.138 13.342 12.566 -0.039 12.892 15.922 1.686 13.013 14.775 5.285 15.878 12.907 6.886 ****************************************************************************** * Cluster number: 24 * Size (out of 1.0): 0.030011 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.055 13.305 -3.567 11.413 12.372 -0.125 11.931 14.373 3.082 15.288 13.867 4.835 16.142 14.694 8.453 ****************************************************************************** * Cluster number: 25 * Size (out of 1.0): 0.009330 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.364 14.890 1.558 12.098 12.180 -0.486 15.350 13.068 1.269 13.718 12.424 4.664 13.298 16.050 5.674 ****************************************************************************** * Cluster number: 26 * Size (out of 1.0): 0.002643 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.485 15.440 -0.842 12.388 11.898 0.649 11.577 11.456 4.342 12.552 15.044 5.200 15.828 14.774 3.330 ****************************************************************************** * Cluster number: 27 * Size (out of 1.0): 0.013995 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.784 13.872 -2.410 13.173 13.310 0.523 10.960 13.537 3.630 13.781 12.545 5.974 16.131 15.347 4.963 ****************************************************************************** * Cluster number: 28 * Size (out of 1.0): 0.014928 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.624 13.940 -3.536 11.294 12.229 -0.182 11.471 13.283 3.472 14.842 13.989 4.913 16.597 15.170 8.012 ****************************************************************************** * Cluster number: 29 * Size (out of 1.0): 0.009485 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.719 15.456 -1.517 12.334 12.220 0.343 11.433 11.736 3.996 13.931 13.472 6.280 15.412 15.727 3.577 ****************************************************************************** * Cluster number: 30 * Size (out of 1.0): 0.032654 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.257 12.995 -3.074 11.124 12.370 0.586 12.464 14.981 2.959 16.021 14.503 4.317 14.964 13.763 7.891 ****************************************************************************** * Cluster number: 31 * Size (out of 1.0): 0.015394 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.631 12.876 -2.891 12.922 13.470 0.113 10.804 14.109 3.229 13.341 14.061 6.076 17.130 14.096 6.153 ****************************************************************************** * Cluster number: 32 * Size (out of 1.0): 0.068263 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.571 15.053 -0.630 10.248 13.421 1.936 12.844 10.805 2.904 15.639 13.387 3.288 13.527 15.945 5.181 ****************************************************************************** * Cluster number: 33 * Size (out of 1.0): 0.013373 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.512 15.059 -1.697 11.730 11.578 -0.119 11.050 12.997 3.396 14.733 12.947 4.608 15.805 16.030 6.491 ****************************************************************************** * Cluster number: 34 * Size (out of 1.0): 0.009796 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.216 15.012 -1.570 10.283 12.485 0.487 12.272 11.130 3.411 14.710 14.044 3.577 15.347 15.940 6.774 ****************************************************************************** * Cluster number: 35 * Size (out of 1.0): 0.006220 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 12.840 15.231 -0.773 10.662 12.240 0.019 11.262 11.515 3.725 14.585 13.332 3.739 15.480 16.293 5.970 ****************************************************************************** * Cluster number: 36 * Size (out of 1.0): 0.017727 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.375 14.437 -1.172 12.033 11.705 -0.795 14.136 13.813 1.581 14.363 12.908 5.274 14.922 15.749 7.791 ****************************************************************************** * Cluster number: 37 * Size (out of 1.0): 0.006686 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 11.094 15.052 -1.076 11.122 11.391 -0.027 13.817 11.847 2.658 13.280 15.413 4.022 15.516 14.907 7.102 ****************************************************************************** * Cluster number: 38 * Size (out of 1.0): 0.044161 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 9.519 13.358 -3.262 11.540 12.362 -0.179 12.786 14.563 2.659 15.449 13.431 5.000 15.534 14.896 8.461 ****************************************************************************** * Cluster number: 39 * Size (out of 1.0): 0.013839 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 10.581 15.044 -0.528 11.122 11.418 0.576 14.763 12.149 1.499 13.867 15.170 3.672 14.497 14.830 7.461 ******************************************************************************