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. Author manuscript; available in PMC: 2024 Mar 23.
Published in final edited form as: J Phys Chem B. 2023 Mar 14;127(11):2418–2429. doi: 10.1021/acs.jpcb.3c00217

Figure 3.

Figure 3.

LK7β is a peptide (Ac-LKLKLKL-NH2) that assembles into antiparallel β-sheets at the air-water interface. Leucine residues are in yellow, lysine residues are in blue, and water molecules in the computational model are red. The polar lysine residues face into the aqueous phase, while the hydrophobic leucine residues face into the vacuum. LK7β is modeled as a five-strand β-sheet with ~1350 water molecules around it. LE7β forms the same structure (Figure S7), but with negatively charged glutamate residues facing the solvent instead of positively charged lysines.