Figure 4

Hydrogen bonds of Apl_AvBD2 and its mutants with water molecules. (a) Hydrogen bond pairs within 0.35 nm and (b) Hydrogen bond pairs > 0.35 nm. The graph indicates average of values obtained during the entire period of simulation for each mutant. The representative original graphical data obtained for wild type, single mutant and progressive serial mutant are shown as (c), (d) & (e). As cationicity increases, the number of hydrogen bonds between peptide and the surrounding water molecules also increases. The change was visible with the substitution of a single amino acid itself.