Fig. 5: Molecular docking and PASTA.
From: Instantaneous fibrillation of egg white proteome with ionic liquid and macromolecular crowding
Snapshots illustrating a hydrogen-bonding ability and b hydrophobicity of amino acids residues on docking pose with the lowest absolute value of affinity (kcal/mol) for Ovotransferrin with [Tos]−. c Molecular interaction diagrams of [Tos]− and amino acids residues of Ovotransferrin. d Changes in the secondary structural conformation of various proteins of EWP: Ovalbumin (OVA), Ovatransferrin (OVT), Flavoprotein (FLA), Ovamucoid (OVD), and Lysozyme (LYS) after fibrillation with [Cho][Tos].
