Fig. 2: Properties of optimized ensembles for unfolded drkN SH3 domain.

Results are for the optimized RANDOM and ENSEMBLE pools using all experimental data. a Secondary structure propensities per residue after optimization. Error bars are shown as ± one standard deviation for the secondary structure propensities among the 1000 independently drawn and optimized ensembles of 100 structures each. b Radius of gyration distribution after optimization. c SAXS intensity curves for unoptimized and optimized ensembles compared with the experimental data with corresponding errors shown with error bars.