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. Author manuscript; available in PMC: 2024 Apr 11.
Published in final edited form as: Nat Struct Mol Biol. 2023 Sep 7;30(10):1495–1504. doi: 10.1038/s41594-023-01085-6

Extended Data Table 2 |.

Calculated bicarbonate binding energies for residues in the AE1 anion binding site

Residue Binding Energy
S465 −0.19
I528 −0.62
S529 0.12
I531 −0.17
F532 −0.25
E681 0.37
A726 −0.46
T727 −6.66
T728 −2.55
V729 −3.97
R730 −11.33
S731 −0.38
V732 −0.15
T733 −0.21
M795 −0.13

Calculated bicarbonate binding energies for residues in the AE1 anion binding site