Fig. 1

MD simulations of dDAT embedded in a detergent micelle and a lipid bilayer. a Trajectories of the root-mean-square deviation (RMSD) of the dDAT model to the dDAT crystal structure (PDB ID: 4XP1) when embedded in a DDM micelle (green) and in a POPC/POPE/POPG/CHOL bilayer (blue). b, c Structural fluctuations of dDAT in a DDM micelle (b) and a POPC/POPE/POPG/CHOL bilayer (c) are illustrated by projecting the corresponding root-mean-square fluctuation (RMSF) profiles onto the last frame of the MD trajectory of dDAT in the mixed bilayer. The thickness of the tube represents the amplitude of the fluctuations. To provide a better visualization, the thickness is scaled by the RMSF values in the region from 0 to 0.25 nm (the residues with RMSF > 0.25 nm are considered as the same as RMSF = 0.25 nm). The DDM micelle and the lipid bilayer used in the MD simulations are shown as background