Bayesian inference of protein conformational ensembles from limited structural data
Fig 3
Bayesian inference of ΔmC2 conformational ensemble from (A) SAXS data only, (B) SAXS data + Rosetta energies, (C) SAXS data + CS and d) SAXS data + CS + Rosetta energies. (E-H) Population weight distributions for inferred ensembles in all four inference scenarios in A. (I-L) Ensemble model fits to SAXS data based on the point estimate of population weights from VBI. (M-P) Error weighted intensity difference plots for each ensemble. Structural models were aligned on N-terminal domain (cyan). Different C-terminal orientations (various colors and numbers 1–9) correspond to different conformers.