Putative mutations, associated VDS (ΔS_{vib (open)}− ΔS_{vib (close)}, in units of J.K^-1) and predicted occupancies for the open and closed states for the mutants with predicted open-state occupancy higher than that of the wild type.

Predicted occupancy values are shown for the open conformation, the closed conformation, and the difference between the two (closed–open). The data for the remaining mutants with occupancy below that of the wild type but VDS>0.3 (red) as well as those with the lowest predicted VDS values (blue) is presented in S3 Table.