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. Author manuscript; available in PMC: 2013 Jul 26.
Published in final edited form as: J Phys Chem B. 2012 Feb 10;116(29):8375–8382. doi: 10.1021/jp2114576

Table 1.

Summary of equilibrium folding simulations results. The length shown for the segment actually used to compute RMSD. GDT-TS score was computed for the lowest potential energy conformations. The significance of the observed RMSD values was estimated using the distribution of RMSD values of random protein alignments13.

Name Length Min Cα RMSD p-value Sampling, ζ GDT-TS
Villin headpiece 33 1.2 Å 10−215 10 55.5±1.7
WW domain 23 0.6 Å 10−308 6 61.4±3.7
ACBP 76 4.1 Å 10−58 0.0019 34.3±1.3
Ubiquitin 76 6.6 Å 10−16 0.0055 33.1±1.8
SH3 56 6.1 Å 10−15 0.0096 27.6±1.2
λ-repressor 79 5.5 Å 10−29 0.0078 34.8±1.2
Villin 14T 121 9.9 Å 10−6 0.00064 18.1±0.7