Table 1.

Average Spearman’s correlation coefficients (r_s) between residue-fluctuation profiles

Compared methods	Benchmark dataset of NMR-solved proteins
	Entire dataset (140 proteins)	Subset with RMSD of NMR ensemble ≤1 Å (60 proteins)	Subset with RMSD of NMR ensemble >1 Å (80 proteins)
CABS-flex versus NMR
MD versus NMR
CABS-flex versus MD

Note: The table shows an average pairwise comparison between CABS-flex, MD and NMR ensembles. The average correlation values (and standard deviations in brackets) are presented for the entire protein benchmark set and its subsets having average fluctuations in the NMR ensemble: lower (RMSD ≤ 1 Å) or higher (RMSD >1 Å).