Figure 8.

MD simulation of VP40 hydrogen-bond formation. A, eVP40 protomer–lipid interactions. Top, representative hydrogen-bonded configuration of eVP40 in which cationic lysine residues make hydrogen-bond interactions with the anionic headgroups of POPS. Bottom left, number of hydrogen bonds, and bottom right, electrostatic energy of interaction between protomer and the PM. Red curves, with POPS, and blue curves, without POPS. B, eVP40 dimer association with PM. Left, typical snapshot of the lysine residues in the CTD basic patch interacting with the POPS. Right, electrostatic energy of interaction between eVP40 dimer and the PM. Red, with POPS; blue, without POPS.