Fig. 3

PCA analyses of 40 ns simulation trajectories of T7L at three different pH values depicting the motions along the first six eigenvectors and FEL analyses of T7L depicting low energy basin along with the representative structure retrieved at each pH: (a) pH 5, (b) Neutral pH and (c) pH 7.9. Secondary structure color scheme is same as Fig. 1. d Eigenvalues for T7L at each pH, shown in decreasing order of magnitude and obtained from the backbone coordinate covariance matrix as a function of the eigenvector index. e The projections of the trajectory onto the planes defined by the 10^th and 20^th eigenvectors from the protein coordinate covariance matrix for each pH