Sequence Alignment Showing Aqp-Lipid Head Group Interactions
All contacts within 6 Å from the CG simulations of 40 different Aqp (shown as a white to red gradient) are displaced on a corresponding sequence alignment. The upper half of the alignment shows TM helices H1 to H3, and the lower half shows the symmetry-related repeat in TM helices H4 to H6. The first three lines of the alignment correspond to 2B6O, 3M9I, and 2ZZ9 (with a cutoff of 4 Å), and the contacts seen in the crystal structures are colored red.
See also Figure S4.