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Figure 4
Two lowest energy configurations of His 119 B from PDB entry 2ixc. The right panel (HE2 protonated) is 20.4 kcal mol−1 lower in energy than the left panel (doubly protonated).

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 80| Part 8| August 2024| Pages 639-646
https://doi.org/10.1107/S2059798324006314
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