S. Nangia

Lipid-Shell PARCH: A Physically Motivated Scale for Transmembrane Residue Hydropathy

A lipid-shell modification to the protocol for assigning a residue’s character on a hydropathy (PARCH) scale is presented, in which the protein’s first hydration shell is enclosed by a lipid boundary layer during thermal annealing to establish a computationally affordable and physically meaningful approach to quantifying membrane hydropathy that is sensitive to residue identity, membrane depth, and cooperative hydration among tandem charged residues.