Figure 4.

Representative structures of TM peptides containing one basic side chain obtained from the replica with specified pH value. The structures were rendered using VMD.⁶³ The peptide backbone is depicted with green cartoon representation, while the titratable side chains are shown with blue van der Waals representations. The bilayer phosphate head groups are shown with orange spheres. The lipid tails are not shown to avoid complexity. Water molecules whose center of masses are within 5 Å of the side chains are illustrated with van der Waals spheres and red color.