Table 1.

Interactions of the 3’-terminal phosphate group of the substrate with the active site residues in the starting and optimized models of human Tdp1.

Interaction	Distance (Å)
	Starting model	Optimized model
PO4-:P ∙∙∙ His263:NE2	2.0	2.7
PO4-:Obridging ∙∙∙ His493:NE2	2.6	2.6
PO4-:O ∙∙∙ Lys265:NZ	2.8	2.7
PO4-:O ∙∙∙ Lys495:NZ	2.8	2.7
PO4-:O ∙∙∙ Asn283:ND2	3.0	2.8
PO4-:O ∙∙∙ Asn516:ND2	3.2	3.0