Fig. 3

The molecular docking models of HE protein and O-acetylated sialic. (a) The molecular docking structure of B277a-HE424 and O-acetylated sialic. The docking energy is -5.4Â kcal/mol. (b) The molecular docking structure of B277b-HE420 and O-acetylated sialic. The docking energy is -5.4Â kcal/mol. (c) The molecular docking structure of B298-HE428 and O-acetylated sialic. The docking energy is -5.6Â kcal/mol. The boxed portions of the structures indicate the different conformations of the R3-loop. The dotted green lines represent hydrogen bonds. The light green lines represent carbon-hydrogen bonds. The pink lines represent hydrophobic forces. The purple circles represent aa residues where covalent forces occur