Steered molecular dynamics simulations.

<p>(A)Snapshots for a representative unzipping simulation (FU2). (B)First panel: the force curve. Second panel: the number of contacts between VAMP2 residues 25 to 41 with SNAP 25. Third panel: the distance between VAMP2 E41 and SNAP25 R124 salt bridge. Fourth panel: the RMSD of the rest part of SNARE core domain when VAMP2 is pulled away. The pink area indicated the final detachment between VAMP2 and the rest of SNARE core domain, four dashed line represents the time of snapshots in (Fig 5A).