TABLE 2.

Interaction energy (in kcal/mol) of the camphor substrate with its closest heme environment

Group	Energy-minimized penta-coordinated species	Chimeric penta-coordinated species
Heme	−8.70 (−7.53)	−5.04 (−3.55)
Propionate A	−2.47 (−1.41)	0.86 (1.57)
Pyrrole A	−2.32 (−2.09)	−1.96 (−1.75)

Calculated in the energy-minimized penta-coordinated structure and in the chimeric species (in which the substrate was replaced by its CO-bound conformation, whereas the remaining part of the cytochrome was maintained in its penta-coordinated structure). Values given in parentheses are the van der Waals contributions.