Fig. 4
Evidence for structural swelling from simulations. a, b Two-dimensional probability densitites derived from REMC simulations at 39 °C plotted in the spectral scale (blue to red represent low to high probabilities) at 14.5 mM (a) and 170 mM IS (b). The ordinate represents the protein volume and the abscissa is a measure of the electrostatic interaction energy that splits the native ensemble into two sub-ensembles at 14.5 mM IS. c, d Distribution of W67 contact probabilties (c) and Y40-W67 Cα-Cα distances (d). Source data are provided as a Source Data file
