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Comparison of A) NMR structure at pH 7.4 (1IBO) (blue) vs. final structure after 5 ns (red). B) protein-micelle system after 5 ns without restraints. C) NMR structure at pH 5 (1IBN) (blue) vs. final structure of protonated 1IBO after 5 ns (green). D) Final structure of 1IBO after 5 ns (red) vs. final structure of protonated 1IBO after 5 ns (green). E) Final structure of unprotonated 1IBN after 5 ns (red) vs. final structure of protonated 1IBN after 5 ns (green).
