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 |