Initial simulation coordinates. A) p7 amino acids and their corresponding position within the protein. B) Two p7 monomers separated (<i>Sep</i> model) and C) extracted from the hexameric structure PDBID 2M6X (initial <i>Bound</i> model configuration). D) Two monomers initially attached by N-termini to the surface of a complex membrane (<i>Surface</i> model) containing DOPC (in green), DPPE (in blue), POPI (in purple), Cholesterol (in black) and DOPS (in orange) (55:21:11:9:4 mol%). Monomers are in the initial positioning seen in replica 1. Water atoms shown with sky blue. Proteins are shown with cartoon representation and differentiated in pink and ice-blue (p1 and p2, respectively); when shown, non-polar residues in white, polar in green and cationic in blue. In snapshots, water and ions are omitted for clarity.
af: Oluwatoyin Campbell (14392137)
Udgivet: (2025)