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. 2021 Jun 1;153(8):e202012855. doi: 10.1085/jgp.202012855

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© 2021 Rook et al.

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Figure S3. — Q277N reduces hydrogen bond stability. Same analysis as Fig. S2, looking at potential hydrogen bonds around residue 277. In both sets of simulations (WT and Q277N), E80 is deprotonated, while E412 and E417 are both protonated. The hydrogen bond stability for each chain in each of three runs (100 ns in duration) is illustrated. Q277N shows heavily reduced presence of hydrogen bonds between 80, 277, and 414 relative to WT for every chain in all repeats.