1P7W

crystal structure of the complex of proteinase k with a designed heptapeptide inhibitor pro-ala-pro-phe-ala-ser-ala at atomic resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 67
  • Norm. En. per Res.: -1.8132
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-13.3148	0.0	-108.168	-121.4828	67	43	5	6186	0	0	0

Interface residues

• A-B: ALA158A, ALA159A, ALA166A, ALA172A, ALA2B, ALA5B, ALA7B, ARG218A, ASN161A, ASN162A, ASN194A, ASN67A, ASN99A, ASP39A, ASP65A, ASP97A, ASP98A, CYS73A, GLN103A, GLY100A, GLY102A, GLY134A, GLY135A, GLY136A, GLY160A, GLY222A, GLY66A, GLY68A, GLY70A, HIS69A, HIS72A, ILE107A, ILE220A, ILE38A, LEU131A, LEU133A, LEU96A, MET225A, PHE192A, PHE4B, PRO171A, PRO1B, PRO3B, SER101A, SER105A, SER132A, SER138A, SER170A, SER173A, SER219A, SER221A, SER224A, SER6B, THR106A, THR179A, THR223A, THR227A, THR40A, TRP212A, TYR104A, TYR137A, TYR169A, TYR60A, VAL141A, VAL157A, VAL180A, VAL95A