Extended Data Fig. 5: Experimental support of transmembrane borders and lipid distribution.

a, Side views of cryo-EM maps at different thresholds showing extra densities in orange corresponding to the detergent micelle, detergent molecules, or potential copurified lipids near the transmembrane region. b, Side view of MgtA simulated in a native lipid environment displayed in surface representation colored by electrostatic potential (UCSF Chimera coloring varies from red [-10 kcal/mol/e] to blue [+10 kcal/mol/e] with distance-dependent dielectric constant 4, distance from surface 1.4). Phospholipids corresponding to phosphatidylethanolamine (PE), phosphatidylglycerol (PG) and cardiolipin are colored tan, yellow, and green, respectively. c, Arginine and lysine residues that interact with anionic lipids during at least 20% of the simulation, with cutoff enclosing the first peak of the radial distribution function. d, Side view of MgtA with arginine (R), lysine (K), and tryptophan (W) residues near the lipid membrane borders highlighted in blue spheres. e, Voronoi decomposition of lipid centers-of-geometry in the cytoplasmic leaflet initially (initial) and at the end of the simulation (final). Yellow and green are anionic PG and cardiolipin lipids, respectively. At right, average enrichment or depletion of lipids based on solvation shell as assigned by Voronoi decomposition averaged over the trajectory. Data are shown for independent replicates (n = 10) from the same simulation with mean and standard deviation (error bars) for each solvation shell.