/
lib_50_z_7.txt
671 lines (666 loc) · 20 KB
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lib_50_z_7.txt
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*******************************************************************************
*
* 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
******************************************************************************