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. Author manuscript; available in PMC: 2012 Apr 12.
Published in final edited form as: J Chem Theory Comput. 2011 Apr 12;7(4):1208–1219. doi: 10.1021/ct100738h

Table 4.

Dot products of the normalized vectors built from the shape moments of the five lowest non-rotational/translational modes of the given representations of a 31 residue λ -helix

All-atom vs. ENM
1 2 3 4 5
1 −0.797 0.583 −0.739 −0.217 −0.538
2 −0.689 −0.642 0.179 0.045 −0.232
3 0.027 0.720 −0.464 0.649 0.491
4 −0.417 −0.379 0.012 −0.747 −0.731
5 −0.300 −0.209 0.290 0.876 0.230

All-atom vs. All-atom 4–31
1 2 3 4 5

1 0.217 −0.970 0.230 −0.375 −0.156
2 −0.900 −0.112 −0.774 −0.709 0.022
3 0.208 −0.402 0.725 0.725 0.515
4 −0.058 −0.106 −0.506 −0.890 −0.573
5 −0.590 −0.098 −0.242 −0.069 0.918

All-atom vs. All-atom 18–31
1 2 3 4 5

1 −0.235 −0.937 0.849 0.216 −0.211
2 0.851 −0.394 −0.035 −0.556 −0.131
3 −0.614 −0.066 0.352 0.799 0.629
4 0.458 −0.402 0.124 −0.651 −0.714
5 0.454 −0.199 −0.323 0.438 0.844

All-atom vs. All-atom 29–31
1 2 3 4 5

1 −0.730 0.667 −0.715 −0.301 −0.731
2 −0.765 −0.567 0.318 0.046 −0.222
3 0.118 0.701 −0.614 0.619 −0.052
4 −0.470 −0.319 0.178 −0.763 −0.297
5 −0.299 −0.167 0.212 0.857 −0.060

ENM vs. All-atom 4–31
1 2 3 4 5

1 0.407 0.784 0.295 0.675 −0.009
2 0.731 −0.651 0.878 0.500 0.004
3 −0.424 0.769 −0.657 −0.121 0.285
4 −0.375 0.009 0.089 0.411 0.938
5 −0.110 0.420 0.296 0.692 0.468

ENM vs. All-atom 18–31
1 2 3 4 5

1 −0.351 0.928 −0.557 0.096 0.125
2 −0.900 −0.320 0.706 0.695 0.115
3 0.589 0.529 −0.958 −0.283 0.230
4 0.088 0.088 −0.314 0.643 0.962
5 −0.180 0.603 −0.295 0.259 0.526

ENM vs. All-atom 29–31
1 2 3 4 5

1 0.993 −0.156 0.314 0.089 0.679
2 0.070 0.993 −0.875 −0.023 −0.296
3 0.323 −0.785 0.973 0.274 0.443
4 0.052 0.033 0.074 0.996 0.110
5 0.509 −0.045 0.073 0.568 0.820