. 2020 Mar 23;477(6):1123–1136. doi: 10.1042/BCJ20200124

Table 1. Tabulated relative free energy (ΔΔG = ΔG_calc− ΔG_ref) for various partially oxidized H-NOX models as computed by MM/GBSA. ΔG_ref = ΔG_calc(P1ʹ).

Model	Disulfide bridge	ΔΔG (kcal/mol)	Std. error
P1	Cys149–Cys177	26.5	1.2
P1ʹ	Cys174–Cys182	0.0 (reference)	—
P2	Cys149–Cys182	37.4	0.1
P2ʹ	Cys174–Cys177	8.7	0.1
P3	Cys149–Cys174	117.8	0.2
P3ʹ	Cys177–Cys182	134.1	0.2

Table 1. Tabulated relative free energy (ΔΔG = ΔGcalc − ΔGref) for various partially oxidized H-NOX models as computed by MM/GBSA. ΔGref = ΔGcalc(P1ʹ).