FIG. 4.

Coil-globule transition is residue pair specific.x_ij values were plotted as a function of the mean-field parameter ω₂ for two pairs of residues, i = 52, j = 3 (blue) and p = 63, q = 48 (red). Each panel corresponds to P0A8H9 WT, S2T15, and S54S56 from left to right, respectively. The vertical black line represents the wild-type ω₂obtained from the all-atom simulation. All ω₃ values were used specific to the sequence obtained from the all-atom simulation using K-means clustering mentioned above. The changes in the mean-field parameter mimic changes due to hydrophobicity, temperature, or local variations in soft interactions inside cells.