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Ligand orientation dependent effects on the pKas of the propionates for a bis-imidazole heme model complex. The pKa of the propionatic acids depends on the ligand orientation, alpha as a direct result of the interaction energy shown in Figure 4. The interaction energy as a function of ligand orientations (here bis-imidazole system) changes the propionatic acids pKa by as much as one pKa unit.
