Fig. 4: Interaction and membrane location of the helical motifs linking the 3HBs to the TMDs of ATL1 molecules in molecular dynamics simulations.
From: Dissecting the mechanism of atlastin-mediated homotypic membrane fusion at the single-molecule level
a, b Apo ATL1 monomer (a) and GDP/Pi-bound ATL1 Form 3 dimer (b) in the membrane after 1-μs MD simulation. The helical motifs between the 3HBs and TMDs are colored in green. c, d Distance of each residue of the helical motif to the membrane center from the simulation of monomer (c) and GDP/Pi-bound Form 3 dimer (d). The red areas show the membrane thickness based on the phospholipid density. e MD trajectory of the number of contacts between the helical motifs in Form 3 dimer. f, Contact map of the helical motifs from the simulation of Form 3 dimer. g, h As in (e, f), but with ATL1-N440T.
