MDcons: Intermolecular contact maps as a tool to analyze the interface of protein complexes from molecular dynamics trajectories

Table 1 Main features of the analysed complexes

PDB ID	Receptor	Ligand	Δ G (kcal/mol)	C₅₀	C₇₀	C₉₀	# ICs CR_kl = 1	MD Interface area (Å²)
7CEI	Colicin E7 nuclease	Im7 immunity protein	-19.50	1.0	0.84	0.69	19	733 ± 38
1QA9	CD2	CD58	-7.16	0.95	0.78	0.49	9	641 ± 41

PDB IDs, binding free energies in kcal/mol and MDcons results for the Im7- ColE7 and CD2-CD58 complexes

ISSN: 1471-2105