TABLE 1.

Number and total energy of interfacial hydrogen bonds formed between domains 1A and 2A and ssDNA in the PcrA-DNA complex

Interfacial hydrogen bonds	Substrate state (with ATP)	Product state (no ATP/ADP)
Between 1A and 2A	18 bonds	13 bonds
Between protein and ssDNA	8 bonds	14 bonds
Between 1A and ssDNA	6 bonds	5 bonds
Between 2A and ssDNA	1 bond	5 bonds
Total energy between 1A and ssDNA	−22.5 kcal/mol	−15.1 kcal/mol
Total energy between 2A and ssDNA	−5.8 kcal/mol	−24.6 kcal/mol