TABLE 3.

Binding free energies for bezlotoxumab Fabs (and individual contributions by heavy and light chain residues) to the E1 and E2 regions of the TcdB CROP domain as well as to the whole B2 peptide

Region	Binding free energy (ΔG)
	Heavy chain	Light chain	Fab
	kcal/mol
E1	−20.1	−1.9	−21.9
E2	−20.2	−1.9	−21.4
E4	2340	246	2590
B2	NDa	ND	−43.3

^a ND, not determined.