For the wild-type
NK, the ND1 (His64)eOD1(Asp32) distance remains approx. 5.55 Å,
and the ND1(His64)eOD2(Asp32) distance remains approx. 3.93 Å.
For I31L mutant, the ND1(His64)eOD1(Asp32) distance was stabilized
approx. 3.93 Å after 5000 ps during the 14000 ps of MD
simulation, and the ND1(His64)eOD2(Asp32) distance was stabilized
approx. 3.3 Å after 5000 ps