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Implicit model to capture electrostatic features of membrane environment

Fig 7

Test3: ΔΔG_mutation of alanine to all other residues.

Predicted ΔΔG_mutation and experimental measurements for (a) OmpLA and (b) Pagp protein. For the experimental values of ΔΔG_mutation for D⁻¹ and E⁻¹ for OmpLA, we have used their extrapolated MF scale values as described in Methods section. Since the experimental based on the MF hydrophobicity, was measured at a pH of 3.8, where some of the Asp and Glu are in their protonated states, we removed them while calculating the slope and correlation coefficient of the best-fit lines (dashed lines) for the predictions relative to experimental values. The black line is the y = x line. The red and blue dashed lines are linear best-fit lines for values predicted by F23 and F19, respectively. The equations for the best-fit lines for F23 and F19 are shown in red and blue, respectively.

doi: https://doi.org/10.1371/journal.pcbi.1011296.g007