Table 3.

Per-residue energy decomposition (PRED) of GTP/cGMP-ligated hsGC cyclase systems.

Residues	Cyclase-GTP PRED ∆G(kcal/mol)	Cyclase-cGMP PRED ∆G (kcal/mol)
α:D486	−0.90	−2.60
α:V488	−5.18	0.01
α:G489	−4.43	−0.01
α:F490	−4.50	−0.01
α:T491	−0.37	0.01
α:I528	−2.50	−2.60
α:G529	−1.08	−1.60
α:D530	−1.00	−0.54
α:R574	−14.10	0.05
β:T474	0.05	−1.24
β:V475	−0.04	−4.40
β:F543	−2.33	−0.17
β:G544	−1.41	−0.10
β:N545	−0.22	−0.12
β:T546	−0.25	0.04
β:V547	−2.03	−0.60
β:N548	−1.71	−0.10
β:L549	−0.02	0.02
β:T550	−0.25	0.13
β:S551	−0.25	0.01
β:R552	−4.60	0.03
β:K593	−6.00	−1.00
β:K595	−0.40	−0.10
β:K596	−0.45	−0.10