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Electrostatic interaction energy surface overlaid with observed ligand orientations in bis-His b-type heme-binding sites. The alpha angles for bis-His b-type hemes taken from the nonredundant protein set are plotted. The lines represent the relative orientation of the two ligands: parallel (solid), perpendicular (dashed) or anti-parallel (dotted). The underling contour map is the total interaction energy for a bis-imidazole heme model complex, both propionates ionized [see Fig. 5(E)].
