The movie shows a 2-ns trajectory in which cyt c2 is forcibly undocking from the interface with the reaction center. Each frame represents 10 ps simulation time. Important side groups are highlighted in so-called van der Waals (sphere) representation. Heme is colored pink, tyrosines cyan and ArgC32 blue. TyrM295 is located on the left side and forms cation-pi interaction with ArgC32. In this region water molecules establish a single file in the reduced system. TyrL162 (cyan) together with LeuM191 (gray VDW) in the central region is the closest and most stable RC-cyt c2 VDW contact. The largest force is needed to break this VDW interaction at the docking interface. On the right side the formation of transient salt bridges between oppositely charged residue pairs can be observed. Lysines on the cyt c2 surface are colored blue and aspartic acids on the RC surface are colored red. The residues LysC97/LysC99 and AspL261/AspL257 establish persistent electrostatic interactions up to 10-A RC-cyt c2 separation. All residues within 3.5 A of the docking interface are shown in green licorice representation, and the selection is updated at every frame of the trajectory.

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