Fig. 6
X-l and Cis-1 interfaces are independent and complementary. a Close views of X-1 and Cis-1 interfaces, where mCldn15 protomers are represented as cartoons and the side chains of residues participating in the corresponding interfaces are depicted as sticks (S67, M68, R79, E157, and L158) for X-1 and (W49, S67, R79, E157, and Y163) for Cis-1. Putative hydrogen bonds between Cldns are shown as black dashed lines. The relative location of the lipid bilayer is shown for clarification with lipids in stick representation. The heteroatoms were color coded as oxygen (red), nitrogen (blue), sulfur (yellow), aliphatic chains (gray), and phosphates (orange). b Molecular dynamics simulations of the X-1 and Cis-1 dimers. The initial interfaces (top, as cartoons) and ensemble traces (bottom) of X-l (blue) and Cis-1 (red) dimers generated over 200 ns, which show the range of thermal motions of each dimer. c 2D-RMSD plot of the superimposed X-1 and Cis-1 dimers over the 200 ns molecular dynamics simulations, RMSD values are color coded according to the scale bar shown
