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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

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. ()

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