******************************************************************************* * * Library of 60 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): 0.270205 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.596 27.245 31.282 42.601 25.461 32.816 41.319 22.085 31.507 40.848 23.482 27.984 44.368 24.976 27.981 45.909 21.680 29.148 ****************************************************************************** * Cluster number: 1 * Size (out of 1.0): 0.023091 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.804 27.958 31.324 40.978 25.589 34.032 39.769 22.633 31.970 41.687 23.481 28.781 44.939 21.590 28.218 47.464 23.679 26.393 ****************************************************************************** * Cluster number: 2 * Size (out of 1.0): 0.008939 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.596 28.192 33.089 39.789 25.936 31.858 39.457 22.211 31.272 41.337 21.254 28.099 43.869 24.067 28.336 47.593 23.269 28.063 ****************************************************************************** * Cluster number: 3 * Size (out of 1.0): 0.009683 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.902 27.972 34.343 40.139 26.505 30.888 39.708 22.719 31.175 41.263 21.940 27.774 44.605 23.686 28.268 48.024 22.107 28.270 ****************************************************************************** * Cluster number: 4 * Size (out of 1.0): 0.006518 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.459 27.270 31.654 39.185 25.992 33.087 39.453 22.233 32.238 41.425 22.721 28.990 45.117 22.048 28.420 47.002 24.665 26.329 ****************************************************************************** * Cluster number: 5 * Size (out of 1.0): 0.007076 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.346 28.612 34.307 41.047 25.001 33.209 40.815 23.989 29.566 41.606 20.917 27.506 44.682 22.794 26.338 46.145 23.616 29.792 ****************************************************************************** * Cluster number: 6 * Size (out of 1.0): 0.003724 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.669 27.698 31.576 38.868 25.772 33.271 39.477 22.791 30.980 43.267 22.774 31.110 43.839 23.137 27.364 47.521 22.758 26.417 ****************************************************************************** * Cluster number: 7 * Size (out of 1.0): 0.005773 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.108 28.366 33.340 41.883 25.978 32.338 39.851 23.030 31.056 41.303 22.080 27.664 44.669 23.796 28.176 47.827 21.678 28.145 ****************************************************************************** * Cluster number: 8 * Size (out of 1.0): 0.026257 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.130 27.973 33.437 40.306 25.510 31.187 41.155 21.806 31.220 41.283 21.981 27.426 43.837 24.802 27.469 45.930 22.858 29.979 ****************************************************************************** * Cluster number: 9 * Size (out of 1.0): 0.020857 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.225 28.886 32.295 38.446 25.618 34.106 40.616 23.273 32.024 43.743 23.703 29.955 44.529 21.640 26.842 48.082 21.808 25.497 ****************************************************************************** * Cluster number: 10 * Size (out of 1.0): 0.041527 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 36.799 29.015 33.357 39.619 26.475 33.654 41.146 24.670 30.668 43.637 21.857 30.199 46.611 22.590 27.953 46.830 20.322 24.888 ****************************************************************************** * Cluster number: 11 * Size (out of 1.0): 0.024209 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.020 28.568 33.943 40.852 26.887 32.044 39.391 23.536 31.023 42.156 22.100 28.826 45.946 22.296 28.893 48.277 21.541 25.989 ****************************************************************************** * Cluster number: 12 * Size (out of 1.0): 0.012849 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.539 28.166 31.769 40.720 25.484 34.215 40.148 22.606 31.733 41.921 24.037 28.703 44.366 21.658 27.107 47.946 22.979 27.192 ****************************************************************************** * Cluster number: 13 * Size (out of 1.0): 0.029795 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.267 27.580 31.215 42.037 25.751 33.071 40.693 22.382 31.934 41.029 23.347 28.281 44.673 24.417 28.583 46.942 21.453 27.633 ****************************************************************************** * Cluster number: 14 * Size (out of 1.0): 0.004283 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.675 24.459 34.375 40.425 27.613 33.012 42.579 25.483 30.682 42.009 24.974 26.951 44.930 22.521 26.564 46.023 19.879 29.133 ****************************************************************************** * Cluster number: 15 * Size (out of 1.0): 0.003166 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.516 27.801 34.696 40.423 27.082 31.466 40.936 23.349 31.265 41.632 22.936 27.495 45.444 23.373 27.891 47.691 20.387 27.904 ****************************************************************************** * Cluster number: 16 * Size (out of 1.0): 0.021229 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.434 28.209 34.620 39.889 25.165 32.894 42.695 25.139 30.333 41.681 22.719 27.595 45.224 22.751 26.151 46.717 20.945 29.125 ****************************************************************************** * Cluster number: 17 * Size (out of 1.0): 0.090317 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 36.692 28.544 33.928 39.586 26.141 33.721 41.256 25.691 30.367 43.251 22.478 29.760 45.920 22.522 27.047 47.936 19.553 25.895 ****************************************************************************** * Cluster number: 18 * Size (out of 1.0): 0.015642 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.854 27.391 32.628 42.384 25.973 32.543 41.367 22.526 31.218 41.164 23.297 27.500 44.815 24.450 27.553 46.058 21.292 29.276 ****************************************************************************** * Cluster number: 19 * Size (out of 1.0): 0.002048 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 37.632 25.572 33.097 41.106 27.089 32.791 42.691 23.834 31.602 42.567 24.935 27.992 45.919 23.428 26.945 44.726 20.071 28.292 ****************************************************************************** * Cluster number: 20 * Size (out of 1.0): 0.001862 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 37.888 24.850 32.770 41.120 26.583 33.793 43.546 24.973 31.258 42.602 25.307 27.555 45.297 22.961 26.446 44.188 20.255 28.895 ****************************************************************************** * Cluster number: 21 * Size (out of 1.0): 0.006704 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.519 25.540 35.106 39.153 26.344 32.209 41.708 25.796 29.409 41.185 22.447 27.672 44.780 22.549 26.409 46.296 22.253 29.913 ****************************************************************************** * Cluster number: 22 * Size (out of 1.0): 0.012104 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.822 27.394 34.309 41.645 26.266 31.176 41.051 22.532 30.858 41.340 22.608 27.036 44.830 24.212 27.241 45.952 21.918 30.098 ****************************************************************************** * Cluster number: 23 * Size (out of 1.0): 0.013966 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 37.763 28.518 32.897 40.026 25.908 34.497 40.615 23.632 31.507 43.523 23.939 29.123 44.614 22.160 25.967 48.100 20.771 26.726 ****************************************************************************** * Cluster number: 24 * Size (out of 1.0): 0.001304 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.760 26.682 30.079 39.940 25.126 33.572 42.622 22.727 32.269 44.580 25.390 30.344 42.918 24.158 27.098 44.822 20.847 27.355 ****************************************************************************** * Cluster number: 25 * Size (out of 1.0): 0.017132 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.902 28.761 34.811 39.060 25.679 32.581 42.170 24.082 31.023 41.463 23.285 27.375 44.961 21.979 26.469 48.086 21.142 28.458 ****************************************************************************** * Cluster number: 26 * Size (out of 1.0): 0.017691 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.134 28.108 31.623 39.365 25.833 34.422 41.263 23.485 32.089 44.646 23.721 30.368 44.803 23.549 26.583 46.430 20.233 25.633 ****************************************************************************** * Cluster number: 27 * Size (out of 1.0): 0.011918 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.909 27.456 30.357 41.159 25.615 33.683 39.456 22.469 32.332 41.380 22.389 29.034 45.005 23.525 29.356 46.732 23.474 25.957 ****************************************************************************** * Cluster number: 28 * Size (out of 1.0): 0.003352 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.836 23.960 33.154 41.171 26.305 31.757 38.462 24.991 29.435 40.547 21.902 28.642 43.735 23.805 27.795 46.889 23.966 29.935 ****************************************************************************** * Cluster number: 29 * Size (out of 1.0): 0.021974 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.151 28.622 34.130 38.834 26.351 31.352 40.187 22.855 31.831 41.870 22.864 28.425 45.344 21.414 28.483 48.255 22.823 26.496 ****************************************************************************** * Cluster number: 30 * Size (out of 1.0): 0.000372 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.001 25.599 31.153 40.603 25.746 33.925 43.591 24.052 32.242 42.950 25.661 28.912 45.322 23.659 26.684 44.173 20.213 27.801 ****************************************************************************** * Cluster number: 31 * Size (out of 1.0): 0.005214 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.998 26.655 34.508 40.926 26.243 30.886 40.498 22.467 30.687 41.139 22.166 26.940 44.510 23.904 27.025 45.570 23.494 30.672 ****************************************************************************** * Cluster number: 32 * Size (out of 1.0): 0.006704 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.684 28.949 34.300 39.917 25.272 33.396 41.173 24.849 29.814 41.009 21.719 27.648 44.787 21.177 27.452 48.071 22.962 28.109 ****************************************************************************** * Cluster number: 33 * Size (out of 1.0): 0.002048 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.413 23.524 34.299 41.340 27.005 32.823 41.025 26.047 29.173 40.953 22.877 27.090 44.743 22.773 26.793 45.166 22.703 30.540 ****************************************************************************** * Cluster number: 34 * Size (out of 1.0): 0.054562 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.232 28.610 35.177 38.949 26.865 31.842 40.403 23.474 31.130 43.393 23.833 28.820 44.944 20.999 26.836 48.720 21.148 26.913 ****************************************************************************** * Cluster number: 35 * Size (out of 1.0): 0.006331 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.707 27.188 30.182 41.656 25.243 33.458 39.712 22.274 32.071 41.474 21.980 28.742 45.035 23.004 29.703 45.056 25.240 26.562 ****************************************************************************** * Cluster number: 36 * Size (out of 1.0): 0.002048 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.789 26.961 30.010 39.992 25.920 33.587 39.925 22.316 32.316 43.538 22.433 31.140 45.834 24.091 28.595 44.564 23.207 25.069 ****************************************************************************** * Cluster number: 37 * Size (out of 1.0): 0.013780 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.324 27.310 30.697 42.556 24.565 33.017 39.801 22.239 31.728 40.872 22.834 28.125 44.530 22.196 29.002 45.559 25.784 28.149 ****************************************************************************** * Cluster number: 38 * Size (out of 1.0): 0.003166 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.059 26.193 31.688 40.913 25.891 34.192 43.011 23.840 31.781 42.218 25.281 28.350 45.004 23.514 26.420 45.438 20.210 28.287 ****************************************************************************** * Cluster number: 39 * Size (out of 1.0): 0.010987 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.284 28.320 34.295 40.652 26.416 30.998 38.911 23.074 30.582 41.772 21.458 28.631 45.549 21.547 29.135 47.473 24.113 27.077 ****************************************************************************** * Cluster number: 40 * Size (out of 1.0): 0.013780 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.421 26.999 31.891 41.778 26.080 33.361 42.019 22.685 31.654 41.522 24.090 28.082 45.217 24.346 27.223 45.684 20.729 28.507 ****************************************************************************** * Cluster number: 41 * Size (out of 1.0): 0.025885 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 36.991 27.332 34.961 40.443 27.071 33.359 40.540 24.977 30.194 43.861 23.913 28.686 44.843 21.499 25.922 47.963 20.137 27.597 ****************************************************************************** * Cluster number: 42 * Size (out of 1.0): 0.022160 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 38.937 27.331 34.832 41.727 25.510 32.916 41.460 25.267 29.124 41.435 21.936 27.278 45.126 22.296 26.434 45.956 22.588 30.134 ****************************************************************************** * Cluster number: 43 * Size (out of 1.0): 0.002980 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.351 23.411 33.217 41.089 26.770 33.661 43.082 26.220 30.444 41.790 24.788 27.169 45.032 22.877 26.536 44.298 20.863 29.691 ****************************************************************************** * Cluster number: 44 * Size (out of 1.0): 0.006331 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.459 27.998 33.374 38.844 25.479 32.121 41.629 22.894 31.623 41.005 22.702 27.877 44.491 23.968 27.011 47.213 21.888 28.714 ****************************************************************************** * Cluster number: 45 * Size (out of 1.0): 0.002235 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 37.847 27.607 32.075 40.497 25.393 33.727 43.206 23.411 31.874 42.078 24.581 28.391 45.278 23.678 26.509 45.735 20.259 28.142 ****************************************************************************** * Cluster number: 46 * Size (out of 1.0): 0.002235 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.154 27.519 32.357 40.393 25.531 30.680 39.744 21.910 31.559 41.923 21.024 28.575 44.843 23.009 29.982 44.583 25.937 27.566 ****************************************************************************** * Cluster number: 47 * Size (out of 1.0): 0.004283 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.974 28.533 34.231 38.630 25.775 33.103 40.219 24.428 29.918 42.014 21.206 29.069 44.580 22.760 26.724 48.224 22.227 27.673 ****************************************************************************** * Cluster number: 48 * Size (out of 1.0): 0.001676 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.887 27.164 32.257 40.484 25.385 32.125 39.294 21.842 31.384 40.517 21.793 27.776 43.518 24.181 27.824 46.942 24.564 29.352 ****************************************************************************** * Cluster number: 49 * Size (out of 1.0): 0.000745 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.365 27.798 32.762 40.283 25.906 30.246 39.478 22.325 31.314 42.156 20.912 29.011 44.746 23.316 30.414 45.614 24.672 26.972 ****************************************************************************** * Cluster number: 50 * Size (out of 1.0): 0.020484 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.074 29.184 32.436 39.368 25.751 34.128 40.152 23.918 30.789 43.121 21.499 30.277 45.147 23.263 27.559 47.779 21.313 25.530 ****************************************************************************** * Cluster number: 51 * Size (out of 1.0): 0.000372 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.983 27.481 31.504 39.778 25.507 32.012 38.994 22.767 31.468 41.900 20.974 29.776 44.629 23.636 29.606 46.357 24.565 26.352 ****************************************************************************** * Cluster number: 52 * Size (out of 1.0): 0.003352 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.006 28.690 33.857 41.539 25.548 32.430 40.077 23.502 29.567 42.085 20.504 28.434 45.754 21.467 28.409 45.180 25.218 28.021 ****************************************************************************** * Cluster number: 53 * Size (out of 1.0): 0.003352 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.353 27.971 33.015 40.666 24.629 33.587 40.175 23.466 29.991 41.873 20.620 28.145 44.371 22.957 26.527 45.202 25.286 29.453 ****************************************************************************** * Cluster number: 54 * Size (out of 1.0): 0.001676 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.849 28.438 32.817 40.945 24.746 33.614 40.195 23.584 30.051 42.339 20.675 28.895 45.558 21.920 27.276 44.754 25.566 28.064 ****************************************************************************** * Cluster number: 55 * Size (out of 1.0): 0.001304 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.356 27.914 32.354 41.063 24.961 32.534 40.413 21.609 30.894 41.870 21.175 27.435 42.812 24.867 27.259 45.127 24.402 30.242 ****************************************************************************** * Cluster number: 56 * Size (out of 1.0): 0.022533 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.499 27.464 31.269 42.712 24.763 32.759 40.689 21.889 31.435 40.496 23.290 27.904 43.965 24.696 27.513 46.279 22.827 29.839 ****************************************************************************** * Cluster number: 57 * Size (out of 1.0): 0.008939 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.186 26.481 31.958 39.761 25.581 33.374 38.737 23.972 30.017 41.712 21.591 30.099 43.748 23.437 27.427 47.497 23.867 27.842 ****************************************************************************** * Cluster number: 58 * Size (out of 1.0): 0.003352 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.047 23.612 33.626 39.752 27.069 32.757 41.254 27.158 29.264 40.796 23.416 28.708 44.499 23.063 27.741 47.295 20.611 28.622 ****************************************************************************** * Cluster number: 59 * Size (out of 1.0): 0.000745 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 37.982 25.189 31.706 40.904 26.271 34.076 43.508 24.532 31.876 42.474 25.154 28.200 45.691 23.568 26.887 44.082 20.216 27.974 ******************************************************************************