The N310 configurations in the closed and open structures contrasted with the MD results.

Comparison of the N310 configuration from the crystal structure (green backbone) with that obtained from MD simulations (cyan backbone). Na⁺ ions are shown as yellow spheres. (A) Closed structure (PDB 2NWX) vs. Na3′ site, (B) Open structure (PDB 2NWW) vs. Na3 site.