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Table 1 HAADOCK docking results for the complexes of T7RNAP and T7L at different pH conditions. The HADDOCK energies are in arbitrary units (a.u.). Binding affinities and dissociation constants are calculated from PRODIGY server

From: A computational assessment of pH-dependent differential interaction of T7 lysozyme with T7 RNA polymerase

Complex
(T7RNAP + Lys)
HADDOCK Energies Number of interactions PRODIGY Analysis
Internal energy complex Binding energy H-bond Non bonded Binding affinity ΔG (kcal/mol) Dissociation constant Kd (M)
pH 5 −41913 −58488 12 149 −12.2 1.2e-09
Neutral −42364 −58007 14 150 −10.0 5.0e-08
pH 7.9 −42435 −55193 12 179 −12.5 7.1e-10