Figure 6. Energetic stabilization is correlated to munc18aS306D,S313D closure of the cavity.
A) Averaged total energy changes during the simulation of the munc18aS306D,S313D (simulation M1). B) Time-dependent changes in the Coulomb energy component. C) Time-dependent change in the number of hydrogen bonds between domains 3a and 1 in the simulation of the wild-type munc18a. D) Hydrogen-bond formation between domains 3a and 1 during the simulation of the munc18aS306D,S313D (M1).