******************************************************************************* * * Library of 40 fragments, each 6 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): 0.035327 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.197 10.721 47.846 18.952 9.107 50.431 17.373 12.485 51.169 16.378 13.323 47.581 12.751 12.667 46.642 12.404 11.675 43.041 ****************************************************************************** * Cluster number: 1 * Size (out of 1.0): 0.266729 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.807 11.164 48.300 17.644 9.109 48.876 15.884 12.165 50.397 16.858 14.365 47.431 15.598 11.757 44.934 12.265 11.418 46.772 ****************************************************************************** * Cluster number: 2 * Size (out of 1.0): 0.030467 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.671 9.126 46.654 19.029 11.488 49.118 15.423 10.868 50.389 14.365 14.404 49.218 15.575 13.759 45.690 13.993 10.333 45.641 ****************************************************************************** * Cluster number: 3 * Size (out of 1.0): 0.028598 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.898 10.669 49.119 20.017 9.626 51.363 17.636 12.255 49.952 14.498 11.193 48.073 13.592 13.402 45.104 10.415 12.833 43.100 ****************************************************************************** * Cluster number: 4 * Size (out of 1.0): 0.025234 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.198 10.948 48.497 17.993 9.197 49.557 16.493 12.478 50.755 16.878 14.045 47.323 15.109 11.209 45.494 11.384 12.101 45.084 ****************************************************************************** * Cluster number: 5 * Size (out of 1.0): 0.011215 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.709 9.569 46.785 19.771 10.138 50.391 17.231 12.764 49.331 13.516 12.092 49.661 12.712 13.769 46.310 15.114 11.647 44.232 ****************************************************************************** * Cluster number: 6 * Size (out of 1.0): 0.137009 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 23.310 9.342 52.055 21.034 11.128 49.557 17.209 11.123 49.486 15.575 12.262 46.223 11.880 13.200 46.358 10.047 12.922 43.031 ****************************************************************************** * Cluster number: 7 * Size (out of 1.0): 0.007290 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 18.938 10.265 46.409 18.198 9.442 50.055 17.744 13.063 51.147 15.773 14.285 48.164 13.723 11.167 47.312 14.679 11.757 43.623 ****************************************************************************** * Cluster number: 8 * Size (out of 1.0): 0.014206 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 19.442 10.237 46.671 19.998 10.372 50.433 17.237 12.957 51.020 14.581 10.974 49.186 14.196 13.554 46.392 13.601 11.884 43.008 ****************************************************************************** * Cluster number: 9 * Size (out of 1.0): 0.014019 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 19.527 10.718 46.546 17.329 9.295 49.299 17.479 12.644 51.150 16.322 14.506 48.039 13.470 12.029 47.496 14.928 10.787 44.180 ****************************************************************************** * Cluster number: 10 * Size (out of 1.0): 0.006355 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.224 9.129 48.585 20.399 11.629 50.801 17.220 12.595 48.930 14.223 10.259 48.647 12.041 12.768 46.691 12.947 13.598 43.056 ****************************************************************************** * Cluster number: 11 * Size (out of 1.0): 0.003551 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 18.368 9.139 47.242 20.520 10.918 49.807 17.387 12.121 51.570 15.856 13.806 48.506 12.889 12.370 46.562 14.034 11.624 43.023 ****************************************************************************** * Cluster number: 12 * Size (out of 1.0): 0.019065 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.488 8.696 47.241 19.678 11.749 49.363 16.440 11.560 51.386 14.405 13.963 49.238 15.425 12.724 45.794 12.618 11.287 43.689 ****************************************************************************** * Cluster number: 13 * Size (out of 1.0): 0.025047 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.411 9.119 49.591 19.154 9.884 47.700 17.270 13.082 48.557 13.652 13.076 49.747 12.430 13.958 46.254 14.139 10.860 44.861 ****************************************************************************** * Cluster number: 14 * Size (out of 1.0): 0.016075 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.582 8.139 49.392 19.583 11.186 48.270 17.643 13.139 50.888 14.821 13.810 48.409 12.667 11.211 46.662 12.758 12.494 43.090 ****************************************************************************** * Cluster number: 15 * Size (out of 1.0): 0.021308 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 23.429 9.515 49.589 19.826 10.382 50.463 16.885 10.838 48.055 14.964 13.972 49.018 12.417 13.894 46.144 11.533 11.376 43.441 ****************************************************************************** * Cluster number: 16 * Size (out of 1.0): 0.003364 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 18.589 8.115 46.990 18.969 11.721 48.059 17.346 13.044 51.203 14.536 14.364 49.053 13.917 11.007 47.380 15.698 11.726 44.025 ****************************************************************************** * Cluster number: 17 * Size (out of 1.0): 0.026916 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 23.168 9.839 49.613 19.380 9.679 49.558 17.277 12.200 47.643 13.977 12.695 49.461 12.398 14.259 46.402 12.854 11.305 44.033 ****************************************************************************** * Cluster number: 18 * Size (out of 1.0): 0.008037 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.332 11.073 47.360 18.211 9.037 49.767 16.594 12.103 51.274 16.363 14.380 48.244 15.539 12.378 45.109 12.016 11.007 44.955 ****************************************************************************** * Cluster number: 19 * Size (out of 1.0): 0.007850 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.050 8.895 47.596 20.340 11.457 50.327 17.055 12.828 49.001 13.802 10.839 49.101 11.943 12.962 46.555 14.865 12.996 44.129 ****************************************************************************** * Cluster number: 20 * Size (out of 1.0): 0.020000 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.256 9.993 48.578 20.265 10.697 51.752 17.346 12.334 49.921 14.380 10.930 47.999 13.933 11.878 44.354 10.876 14.146 44.106 ****************************************************************************** * Cluster number: 21 * Size (out of 1.0): 0.008224 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.215 8.957 47.848 18.768 9.625 49.249 17.302 13.085 48.765 13.781 14.227 49.676 12.053 12.720 46.627 14.936 11.364 44.546 ****************************************************************************** * Cluster number: 22 * Size (out of 1.0): 0.000374 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 18.680 8.953 46.683 19.388 11.077 49.751 17.854 13.041 51.236 14.496 13.538 49.505 14.634 11.122 46.555 14.003 12.247 42.980 ****************************************************************************** * Cluster number: 23 * Size (out of 1.0): 0.008411 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 19.858 10.485 47.059 18.332 9.426 50.353 17.367 12.958 51.388 16.034 14.000 47.958 14.876 10.787 46.267 12.589 12.321 43.686 ****************************************************************************** * Cluster number: 24 * Size (out of 1.0): 0.023178 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.818 8.946 50.872 19.908 10.143 48.745 17.978 12.949 50.433 14.953 13.619 48.189 12.936 11.718 45.608 10.462 12.603 42.863 ****************************************************************************** * Cluster number: 25 * Size (out of 1.0): 0.003551 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 18.058 9.106 46.283 19.402 11.923 48.476 17.465 13.088 51.533 14.268 11.507 50.192 14.489 13.083 46.732 15.373 11.272 43.494 ****************************************************************************** * Cluster number: 26 * Size (out of 1.0): 0.001121 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 18.445 9.489 47.170 20.171 10.316 50.455 18.278 13.639 50.251 14.836 12.200 49.439 12.962 11.342 46.259 14.363 12.992 43.137 ****************************************************************************** * Cluster number: 27 * Size (out of 1.0): 0.038692 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.500 8.399 49.183 20.609 11.635 49.903 16.884 11.418 50.587 15.327 13.443 47.749 11.720 12.777 46.548 12.016 12.306 42.739 ****************************************************************************** * Cluster number: 28 * Size (out of 1.0): 0.021121 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.459 10.876 49.289 18.066 9.250 48.459 15.965 11.961 50.132 16.730 14.362 47.287 14.948 12.160 44.693 11.886 11.370 46.849 ****************************************************************************** * Cluster number: 29 * Size (out of 1.0): 0.019626 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.715 8.877 48.786 19.246 11.690 48.149 15.918 10.778 49.629 14.470 14.274 49.124 14.747 13.866 45.355 12.960 10.494 45.667 ****************************************************************************** * Cluster number: 30 * Size (out of 1.0): 0.014393 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.543 11.327 49.029 18.612 9.274 50.353 16.153 12.165 49.856 17.133 12.751 46.216 14.021 11.220 44.605 11.593 13.241 46.651 ****************************************************************************** * Cluster number: 31 * Size (out of 1.0): 0.020000 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.461 11.127 47.427 17.389 9.208 48.563 16.166 11.871 50.911 16.558 14.678 48.373 15.400 12.956 45.233 13.081 10.139 46.203 ****************************************************************************** * Cluster number: 32 * Size (out of 1.0): 0.021869 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.935 11.024 49.328 20.115 9.266 51.196 17.020 11.339 50.385 15.639 12.177 46.956 12.889 14.212 45.349 10.458 11.961 43.495 ****************************************************************************** * Cluster number: 33 * Size (out of 1.0): 0.054766 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 23.667 9.062 50.602 20.220 10.603 51.092 17.943 11.621 48.214 14.653 13.469 47.897 11.885 11.682 46.009 10.687 13.542 42.896 ****************************************************************************** * Cluster number: 34 * Size (out of 1.0): 0.004673 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 21.599 10.494 48.388 19.430 11.291 51.405 16.241 11.932 49.486 16.353 10.403 46.015 12.728 11.087 45.203 12.706 14.770 46.213 ****************************************************************************** * Cluster number: 35 * Size (out of 1.0): 0.008037 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 22.195 9.712 49.537 18.586 9.686 48.362 17.088 12.354 50.619 15.115 14.718 48.375 14.775 12.300 45.448 11.296 11.208 44.370 ****************************************************************************** * Cluster number: 36 * Size (out of 1.0): 0.008598 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.883 9.375 47.800 20.599 10.822 51.294 17.353 12.637 50.477 14.034 11.839 48.863 14.556 11.867 45.079 11.630 13.437 43.197 ****************************************************************************** * Cluster number: 37 * Size (out of 1.0): 0.006916 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 19.650 9.501 47.032 20.182 10.323 50.742 17.275 12.607 51.775 15.972 13.454 48.320 13.220 11.732 46.296 12.756 12.361 42.545 ****************************************************************************** * Cluster number: 38 * Size (out of 1.0): 0.000374 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 20.938 11.977 48.180 19.159 10.606 51.249 15.737 11.168 49.673 16.136 9.755 46.096 15.081 13.162 44.693 12.004 13.311 46.819 ****************************************************************************** * Cluster number: 39 * Size (out of 1.0): 0.000935 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 19.973 10.566 47.175 19.585 11.431 50.883 16.011 12.586 50.150 15.125 9.609 47.916 15.714 11.841 44.837 12.648 13.945 45.749 ******************************************************************************