Table 2.

Salt bridges and ionized sites in MTH1 B complexed with 8OG used in determining additivity of salt-bridge energies

Cation	Anion	Dist.1	ΔHf	Diff.2
Arg151	HSO4 1159	2.46	−17883.3	−45.5
Lys23	8OG 1157	2.61	−17840.9	−3.1
Lys24	Glu97	2.64	−17857.1	−19.3
Arg50	Glu46	2.70	−17865.6	−27.8
Lys131	Glu152	2.75	−17858.6	−20.8
Arg51	Glu43	2.82	−17850.2	−12.4
Arg31	Asp143	3.18	−17853.2	−15.5
Lys114	Asp115	3.26	−17854.2	−16.4
His84	Asp82	3.51	−17862.1	−24.3
Lys66	Val156	3.96	−17841.0	−3.3
Arg5	Glu79	4.11	−17858.0	−20.2
Lys138	Glu73	4.54	−17855.0	−17.2
Lys138	Asp147	4.94	−17845.5	−7.8
His134	HSO4 1158	5.46	−17877.3	−39.5
Lys132	Val156	6.08	−17844.7	−6.9
Lys130	Asp89	6.75	−17851.4	−13.6

1: Smallest nitrogen-oxygen distance, in Å

2: Difference in ΔH_f between un-ionized system, ΔH_f = −17837.8 kcal∙mol⁻¹, and system with salt bridge, in kcal∙mol⁻¹