Membrane-binding mechanism of the EEA1 FYVE domain revealed by multi-scale molecular dynamics simulations
Fig 4
Atomistic simulations: distances, H-bonds and stalk tilt angle.
(A) Centre-of-mass distance between the membrane and each of the FYVE heads as function of time. (B) Number of H-bonds with PI(3)P headgroups for the FYVE heads. (C) Angle between the stalk axis and the bilayer normal as a function of time.