Table IV.

Interaction energies per monomer in the simulated crystals^a

	5CROb				2OVGc
	chain A	chain B	chain C	chain D	chain A
WT	−79.83 ± 3.91	−84.52 ± 3.25	−87.34 ± 3.69	−63.53 ± 2.80	−41.17 ± 4.57
mutant	−75.10 ± 4.38	−79.89 ± 4.39	−82.27 ± 4.10	−65.53 ± 3.00	−45.34 ± 2.67
difference	−4.73 ± 5.87	−4.64 ± 5.47	−5.08 ± 5.52	2.00 ± 4.10	4.18 ± 5.29

^aThe interaction energies (kcal/mol) for the independent monomers in the 5CRO and 2OVG lattices are computed as one half of the sum of the energies over each interface in which the chain participates. For the WT and mutant sets, the errors are reported as in Tables I and II. For the differences, the standard errors are computed as in Table III.

^bIn the 5CRO AU, chain A participates in six crystal packing interfaces (1, 3, 5, 7, 8, 9), chain B in seven (2, 4, 5, 8, 9, 10, 11), chain C in six (1, 4, 6, 7, 12, 13), and chain O in five (2, 3, 6, 13, 14).

^cSince the 2OVG AU contains just one monomer, every chain (A) is equivalent and participates in all six crystal packing interfaces.