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. 2022 Aug 17;13(33):7853–7860. doi: 10.1021/acs.jpclett.2c01986

Table 1. Fitting Results for the A1-LCD Data^a.

N = 158.6 E_WT = −251.9 kJ/mol
aromatic series		polar series		ionic series
variant	ΔE (kJ/mol)	variant	ΔE (kJ/mol)	variant	ΔE (kJ/mol)
–12F +12Y	–5.5	+23G −23S	–5.8	+7R +12D	–15.5
–7F −7Y	+7.4	–10G +10S	+5.4	+7K +12D	+8.0
–4F −2Y	+22.0	–20G +20S	+10.0	+12D	+13.0
		–30G +30S	13.0

^a

Differences in ΔE across variants allow contributions of individual residues to be inferred.