Implicit model to capture electrostatic features of membrane environment
Fig 10
Distribution of residue divergence in the redesigned membrane proteins.
Plots show the difference in log-likelihood (D) and KL-divergence (DKL) of designed residue distribution relative to the native sequences. 204 MPs are redesigned with fix-bb and membrane orientation using the (a) F19 and (b) F23 energy functions. A positive divergence indicates that an amino acid is over-enriched, whereas a negative indicates that an amino acid is under-enriched. Values are given on a logarithmic scale. An amino acid composition pie chart for the sequence designed by each energy function is also shown in the bottom left-hand corner of the divergence plots. The color red is for non-polar, blue is for aromatic, violet is for polar, yellow is for charge, and green is for special residues.