******************************************************************************* * * Library of 60 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): 0.019687 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.704 9.959 44.694 42.062 7.178 47.268 41.070 4.690 44.477 44.627 4.752 43.029 46.111 3.449 46.338 ****************************************************************************** * Cluster number: 1 * Size (out of 1.0): 0.005271 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.139 11.019 46.722 42.284 8.784 43.929 41.663 5.022 44.128 44.093 3.086 46.351 47.394 2.116 44.676 ****************************************************************************** * Cluster number: 2 * Size (out of 1.0): 0.013176 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.836 9.981 44.590 41.316 7.590 47.137 40.999 4.686 44.657 44.635 4.936 43.555 46.788 2.834 45.867 ****************************************************************************** * Cluster number: 3 * Size (out of 1.0): 0.011781 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.368 11.388 44.762 40.535 8.191 46.655 42.605 5.893 44.456 44.611 3.052 45.983 47.455 1.505 43.950 ****************************************************************************** * Cluster number: 4 * Size (out of 1.0): 0.007906 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.361 9.953 44.275 41.260 7.887 47.297 41.428 4.838 44.954 45.034 5.191 43.771 46.490 2.159 45.508 ****************************************************************************** * Cluster number: 5 * Size (out of 1.0): 0.165866 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.330 9.485 44.800 41.879 6.970 47.264 40.914 4.580 44.463 44.401 4.822 42.950 46.050 4.171 46.328 ****************************************************************************** * Cluster number: 6 * Size (out of 1.0): 0.003255 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.075 10.740 45.898 43.253 8.763 45.472 41.971 5.257 44.677 45.315 3.889 43.489 45.959 1.379 46.270 ****************************************************************************** * Cluster number: 7 * Size (out of 1.0): 0.037359 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.278 12.090 45.557 40.814 8.317 45.394 44.101 6.379 45.266 44.163 2.664 44.343 47.218 0.578 45.246 ****************************************************************************** * Cluster number: 8 * Size (out of 1.0): 0.011471 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.495 11.278 45.908 42.833 8.306 46.064 41.778 5.651 43.533 44.303 2.825 43.967 47.166 1.967 46.333 ****************************************************************************** * Cluster number: 9 * Size (out of 1.0): 0.007906 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.195 10.134 44.609 42.305 7.344 47.201 41.249 4.802 44.531 44.827 4.813 43.179 45.998 2.936 46.286 ****************************************************************************** * Cluster number: 10 * Size (out of 1.0): 0.010231 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.279 10.150 45.021 40.443 7.958 46.318 40.973 4.405 45.150 44.556 4.846 43.953 47.323 2.670 45.363 ****************************************************************************** * Cluster number: 11 * Size (out of 1.0): 0.002945 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.978 8.938 45.654 40.497 7.807 46.652 40.440 4.985 44.055 44.035 3.764 44.223 47.624 4.533 45.222 ****************************************************************************** * Cluster number: 12 * Size (out of 1.0): 0.011781 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.397 10.987 46.509 41.617 8.397 43.767 41.569 5.136 45.707 44.763 3.864 43.997 47.227 1.644 45.826 ****************************************************************************** * Cluster number: 13 * Size (out of 1.0): 0.014726 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.784 11.780 44.890 40.598 8.004 45.153 43.225 5.751 46.778 45.652 4.112 44.313 46.315 0.381 44.672 ****************************************************************************** * Cluster number: 14 * Size (out of 1.0): 0.011781 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.296 11.106 45.546 40.589 7.847 46.672 42.163 5.621 43.916 43.884 2.359 44.790 47.641 3.095 44.882 ****************************************************************************** * Cluster number: 15 * Size (out of 1.0): 0.018137 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.829 10.033 47.422 42.277 7.937 44.297 41.003 4.369 44.655 44.272 2.878 43.395 46.193 4.810 46.036 ****************************************************************************** * Cluster number: 16 * Size (out of 1.0): 0.014106 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.900 10.564 45.699 40.122 8.089 46.349 41.682 5.328 44.218 44.145 2.636 45.234 47.725 3.411 44.306 ****************************************************************************** * Cluster number: 17 * Size (out of 1.0): 0.006201 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.833 11.220 45.986 42.716 7.972 46.502 42.354 5.647 43.558 44.179 2.329 43.404 46.493 2.861 46.357 ****************************************************************************** * Cluster number: 18 * Size (out of 1.0): 0.005271 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.352 10.719 46.921 43.047 8.223 44.620 41.094 5.156 43.452 43.792 2.746 44.676 47.290 3.185 46.137 ****************************************************************************** * Cluster number: 19 * Size (out of 1.0): 0.058131 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.464 9.449 44.898 41.738 6.980 47.258 40.835 4.605 44.420 44.363 4.663 42.942 46.175 4.331 46.287 ****************************************************************************** * Cluster number: 20 * Size (out of 1.0): 0.006976 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.534 9.973 44.182 40.448 8.150 46.796 41.757 4.760 45.695 45.376 5.399 44.710 46.460 1.745 44.423 ****************************************************************************** * Cluster number: 21 * Size (out of 1.0): 0.012711 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.819 11.052 46.340 42.906 9.048 45.360 43.345 5.922 43.282 43.481 2.591 45.088 47.022 1.415 45.736 ****************************************************************************** * Cluster number: 22 * Size (out of 1.0): 0.017827 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.383 10.984 45.071 40.212 8.140 46.364 41.972 5.230 44.632 44.716 3.165 46.235 47.291 2.509 43.504 ****************************************************************************** * Cluster number: 23 * Size (out of 1.0): 0.001240 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.754 10.836 45.271 40.321 7.951 44.950 41.422 4.512 46.118 44.893 4.863 44.637 47.184 1.867 44.831 ****************************************************************************** * Cluster number: 24 * Size (out of 1.0): 0.024337 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.673 12.076 45.371 40.736 8.384 46.139 43.334 6.133 44.524 44.165 2.458 44.789 47.666 0.978 44.984 ****************************************************************************** * Cluster number: 25 * Size (out of 1.0): 0.019687 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.186 11.733 45.734 40.779 8.069 44.704 43.035 5.466 46.311 44.854 3.655 43.501 46.721 1.105 45.556 ****************************************************************************** * Cluster number: 26 * Size (out of 1.0): 0.012401 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.226 10.369 46.847 41.312 8.276 43.780 41.546 4.928 45.706 44.407 3.781 43.475 47.083 2.673 45.998 ****************************************************************************** * Cluster number: 27 * Size (out of 1.0): 0.005891 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.897 10.973 44.492 39.870 8.289 46.211 42.207 5.328 46.142 45.659 4.419 44.927 46.941 1.020 44.034 ****************************************************************************** * Cluster number: 28 * Size (out of 1.0): 0.013176 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.000 11.995 46.017 41.335 8.588 44.371 41.727 4.967 45.594 45.083 3.640 44.512 47.429 0.838 45.313 ****************************************************************************** * Cluster number: 29 * Size (out of 1.0): 0.011626 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.724 11.432 45.320 40.653 8.000 46.628 42.417 5.833 44.026 43.999 2.508 44.955 47.781 2.255 44.876 ****************************************************************************** * Cluster number: 30 * Size (out of 1.0): 0.008216 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 44.053 8.912 45.572 40.487 7.863 46.240 41.057 4.676 44.230 44.211 3.749 46.196 46.766 4.828 43.568 ****************************************************************************** * Cluster number: 31 * Size (out of 1.0): 0.005115 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.940 9.823 45.698 41.172 7.365 46.439 40.945 3.996 44.778 44.237 4.173 42.866 46.279 4.671 46.025 ****************************************************************************** * Cluster number: 32 * Size (out of 1.0): 0.011471 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.264 10.919 46.886 42.884 8.302 44.614 41.049 5.059 43.920 44.190 2.882 44.017 47.187 2.866 46.369 ****************************************************************************** * Cluster number: 33 * Size (out of 1.0): 0.010696 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.722 9.280 44.929 40.343 7.943 46.116 41.331 4.384 45.109 44.858 4.697 46.534 46.320 3.725 43.119 ****************************************************************************** * Cluster number: 34 * Size (out of 1.0): 0.021237 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.040 11.533 45.025 41.191 8.126 45.984 44.657 6.488 45.728 44.591 3.352 43.538 46.094 0.530 45.531 ****************************************************************************** * Cluster number: 35 * Size (out of 1.0): 0.006356 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.120 10.635 45.208 42.345 7.261 46.985 41.210 4.988 44.166 44.620 3.703 43.013 46.279 3.441 46.434 ****************************************************************************** * Cluster number: 36 * Size (out of 1.0): 0.015656 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.742 10.016 44.462 40.884 7.894 47.033 41.045 4.780 44.829 44.786 5.038 44.110 47.117 2.301 45.372 ****************************************************************************** * Cluster number: 37 * Size (out of 1.0): 0.007906 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.122 9.781 44.805 41.523 7.312 47.226 41.088 4.591 44.630 44.528 4.729 42.971 46.313 3.616 46.174 ****************************************************************************** * Cluster number: 38 * Size (out of 1.0): 0.010386 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.424 11.056 44.395 40.690 8.335 46.936 42.069 5.576 44.686 45.200 3.793 45.885 47.192 1.268 43.905 ****************************************************************************** * Cluster number: 39 * Size (out of 1.0): 0.003100 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.779 8.989 46.371 40.344 8.355 44.816 40.688 4.574 45.316 44.196 4.457 43.844 47.566 3.652 45.458 ****************************************************************************** * Cluster number: 40 * Size (out of 1.0): 0.012556 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.502 10.181 47.032 41.651 7.714 44.778 40.969 3.964 44.911 44.256 3.189 43.171 46.196 4.980 45.914 ****************************************************************************** * Cluster number: 41 * Size (out of 1.0): 0.077662 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.141 9.576 44.716 41.998 6.979 47.283 40.983 4.618 44.475 44.459 4.885 42.985 45.992 3.971 46.347 ****************************************************************************** * Cluster number: 42 * Size (out of 1.0): 0.019377 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.773 9.212 45.153 41.371 7.085 47.208 40.701 4.721 44.302 44.252 4.300 43.055 46.477 4.710 46.089 ****************************************************************************** * Cluster number: 43 * Size (out of 1.0): 0.003875 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 39.914 11.115 46.106 42.909 9.020 44.999 41.976 5.329 44.813 45.269 3.693 43.782 46.506 0.871 46.106 ****************************************************************************** * Cluster number: 44 * Size (out of 1.0): 0.024182 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.775 11.801 45.492 41.037 8.093 46.271 43.783 6.190 44.474 43.809 2.418 44.012 47.170 1.526 45.557 ****************************************************************************** * Cluster number: 45 * Size (out of 1.0): 0.017982 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.002 11.880 45.789 40.396 8.145 45.206 43.674 6.155 45.479 44.102 2.660 43.992 47.400 1.187 45.340 ****************************************************************************** * Cluster number: 46 * Size (out of 1.0): 0.004340 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.524 9.493 45.149 40.618 7.775 46.893 40.695 4.808 44.527 44.337 4.395 43.534 47.401 3.558 45.703 ****************************************************************************** * Cluster number: 47 * Size (out of 1.0): 0.016587 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.642 10.355 47.216 43.205 8.085 44.580 41.249 4.824 44.165 44.352 2.794 43.350 46.126 3.971 46.495 ****************************************************************************** * Cluster number: 48 * Size (out of 1.0): 0.024802 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.262 11.858 46.117 41.232 8.721 44.183 42.884 5.806 45.977 45.056 3.296 44.130 47.140 0.347 45.399 ****************************************************************************** * Cluster number: 49 * Size (out of 1.0): 0.008681 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.077 9.904 47.555 41.818 8.172 44.436 41.000 4.471 44.319 44.160 2.359 44.162 46.520 5.122 45.334 ****************************************************************************** * Cluster number: 50 * Size (out of 1.0): 0.008836 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.087 10.707 44.378 39.917 8.309 46.434 42.021 5.222 45.922 45.675 4.520 45.313 46.873 1.270 43.760 ****************************************************************************** * Cluster number: 51 * Size (out of 1.0): 0.012711 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.887 10.689 46.353 43.511 8.023 45.554 41.526 5.142 44.017 44.653 3.158 43.168 45.997 3.015 46.714 ****************************************************************************** * Cluster number: 52 * Size (out of 1.0): 0.002635 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 43.970 9.409 46.766 41.415 7.755 44.420 40.869 3.993 44.618 44.249 3.380 46.279 46.071 5.491 43.724 ****************************************************************************** * Cluster number: 53 * Size (out of 1.0): 0.008836 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.507 10.651 45.258 42.861 7.436 46.803 41.411 5.139 44.154 44.774 3.764 43.027 46.021 3.039 46.563 ****************************************************************************** * Cluster number: 54 * Size (out of 1.0): 0.016432 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.993 11.971 45.684 41.265 8.188 46.355 42.996 5.818 43.905 43.817 2.156 44.402 47.503 1.895 45.459 ****************************************************************************** * Cluster number: 55 * Size (out of 1.0): 0.004185 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.591 10.770 44.843 42.033 7.707 47.050 41.275 5.317 44.194 44.758 3.987 43.577 46.917 2.247 46.141 ****************************************************************************** * Cluster number: 56 * Size (out of 1.0): 0.013331 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 42.776 10.496 44.873 39.983 8.098 45.929 41.891 4.789 45.805 45.590 4.052 46.320 46.334 2.594 42.879 ****************************************************************************** * Cluster number: 57 * Size (out of 1.0): 0.017982 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.045 11.281 45.398 42.010 8.211 46.536 44.476 6.422 44.264 43.751 2.731 43.539 46.292 1.383 46.070 ****************************************************************************** * Cluster number: 58 * Size (out of 1.0): 0.026818 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 40.189 11.928 45.843 41.545 8.745 44.322 42.498 5.468 46.013 45.497 3.688 44.481 46.844 0.199 45.147 ****************************************************************************** * Cluster number: 59 * Size (out of 1.0): 0.005891 * Centeroid fragment (coordinates of CA atoms): * X-coor Y-coor Z-coor ------ ------ ------ 41.205 11.673 46.304 40.539 8.275 44.726 43.475 5.966 45.391 43.953 2.474 43.970 47.402 1.640 45.415 ******************************************************************************