Figure 5

Stable hydrogen bonds between enzyme and substrate during simulation. Time series of hydrogen bonds calculated between the protonated amine of substrate subunits and subsite amino acid residues. Residue E59 present at subsite (+1), D131 at subsite (−3), D135 at subsite (−1), N260 at subsite (−2), and N271 at subsite (+1) subsite showed the most stable H-bonds throughout the simulation.