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Video 2 - NhaA, protomer B, 0–250 ns from simulation S2/1.
Description
A sodium ion spontaneously binds to Asp133 and Asp164. Asp133 moves away, leaving the ion with Asp164. The salt bridge Lys300–Asp163 breaks and Asp163 binds the Na+ ion together with Asp164, preventing the reformation of the salt bridge. These interactions remain until the end of the 1-µs simulation, even though only the first 250 ns are shown. ()
Video 1 - NhaA, protomer A, 0–250 ns from simulation S2/1.
Description
Stable salt-bridge network between Lys300 and Asp163/Asp164. The conformation of the network is essentially unchanged over the course of the whole simulation, and hence only the first 250 ns are shown. ()