1MCV

crystal structure analysis of a hybrid squash inhibitor in complex with porcine pancreatic elastase

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 92
  • Norm. En. per Res.: -4.3479
• 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-I	-63.202	-39.6845	-297.116	-400.0024	92	20	6	11027	3	9	12

Interface residues

• A-I: ALA17I, ALA39A, ALA55A, ALA56A, ALA99A, ARG217A, ARG61A, ARG8I, ASN148A, ASN221A, ASN24I, ASP102A, ASP12I, ASP14I, ASP194A, ASP60A, ASP97A, ASP98A, CYS15I, CYS191A, CYS19I, CYS220A, CYS27I, CYS2I, CYS42A, CYS58A, CYS9I, GLN150A, GLN192A, GLN34A, GLU5I, GLY142A, GLY149A, GLY18I, GLY190A, GLY193A, GLY196A, GLY197A, GLY219A, GLY22I, GLY25I, GLY28I, GLY43A, HIS40A, HIS57A, ILE138A, LEU143A, LEU151A, LEU160A, LEU16I, LEU218A, LEU33A, LEU4I, LEU63A, LEU73A, LYS224A, MET180A, MET7I, PHE215A, PHE228A, PHE26I, PHE65A, PRO1I, PRO225A, PRO23I, SER13I, SER189A, SER195A, SER214A, SER217A, SER36A, THR147A, THR175A, THR213A, THR226A, THR3I, THR41A, THR96A, TRP141A, TRP172A, TRP94A, TYR35A, TYR6I, VAL16A, VAL176A, VAL17A, VAL20I, VAL212A, VAL216A, VAL227A, VAL59A, VAL99A