Text S1 - Multiscale Approach to the Determination of the Photoactive Yellow Protein Signaling State Ensemble

Includes additional figures on: the coarse grained structures from different regions of the PYP folding landscape; a comparison of the similarity of the the different regions of the free energy of the coarse-grained model; example of a reconstructed configuration; secondary structure analysis for different configurations; the results of molecular dynamics performed from the pB structure for the experimental WT-PYP; and the results on the generalized correlation analysis on the predicted pB ensemble. (PDF)