Figure 1.

Molecular dynamics simulation at different temperatures, steered molecular dynamics simulation, and sequence conservative analysis (MSC) strategy to predict the nattokinase active centre region of nattokinase with elevated thermal stability sites. (A) Selection of candidate sites for AprY. The catalytic triad of AprY is labelled in red and candidate sites are indicated in yellow; (B) RMSF of AprY at 298 and 328 K; (C) Changes in substrate (sucAAPF-pNA) interaction with wild-type AprY and each mutant during SMD; (D) conservation prediction of AprY residues.