1W3C

crystal structure of the hepatitis c virus ns3 protease in complex with a peptidomimetic inhibitor

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 95
  • Norm. En. per Res.: -6.5746
• Hub Node: A(2)

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	-19.1467	-1.2373	-87.3743	-107.7583	47	12	0	3610	2	8	11
A-C	-197.4024	-8.6219	-418.567	-624.5913	95	32	19	15673	0	3	4
B-D	-184.1865	-7.868	-416.732	-608.7865	94	35	20	15893	0	4	4

Interface residues

• A-B: ARG117A, ARG117B, ARG118A, ARG118B, ARG119A, ARG119B, ARG123A, ARG130B, ASP103A, ASP103B, CYS145B, CYS99A, GLY100A, GLY100B, GLY120A, GLY124A, ILE114B, ILE3B, LEU104A, LEU104B, LEU106B, LEU126A, LEU126B, LEU127A, LEU127B, LEU144B, LYS165A, PRO115A, PRO115B, PRO129A, PRO129B, PRO146A, PRO146B, SER101A, SER101B, SER102A, SER102B, SER125A, SER125B, SER128A, SER128B, SER147B, TYR105A, TYR105B, VAL113B, VAL116A, VAL116B
• A-C: ALA111A, ALA39A, ALA45A, ALA59A, ALA5A, ALA65A, ALA87A, ALA91A, ARG109A, ARG11A, ARG228C, ARG24A, ARG92A, ASN27A, ASP112A, ASP25A, ASP30A, CYS16A, CYS47A, CYS52A, GLN28A, GLN34A, GLN41A, GLN73A, GLN8A, GLN9A, GLU32A, GLY12A, GLY137A, GLY141A, GLY148A, GLY15A, GLY221C, GLY227C, GLY23A, GLY31A, GLY58A, GLY60A, GLY66A, GLY69A, GLY90A, HIS110A, HIS149A, ILE17A, ILE18A, ILE225C, ILE229C, ILE230C, ILE3A, ILE71A, LEU13A, LEU144A, LEU21A, LEU231C, LEU36A, LEU44A, LEU64A, LYS62A, MET94A, PHE43A, PRO142A, PRO67A, PRO70A, PRO88A, SER138A, SER20A, SER222C, SER232C, SER37A, SER42A, SER61A, SER7A, THR108A, THR10A, THR19A, THR22A, THR38A, THR40A, THR46A, THR4A, THR54A, THR63A, TRP85A, TYR6A, VAL107A, VAL113A, VAL150A, VAL223C, VAL224C, VAL226C, VAL29A, VAL33A, VAL35A, VAL55A, VAL83A
• B-D: ALA111B, ALA39B, ALA45B, ALA59B, ALA5B, ALA65B, ALA87B, ALA91B, ARG109B, ARG11B, ARG228D, ARG24B, ARG92B, ASN27B, ASP112B, ASP25B, ASP30B, CYS16B, CYS47B, CYS52B, GLN28B, GLN34B, GLN41B, GLN73B, GLN8B, GLN9B, GLU32B, GLY12B, GLY137B, GLY141B, GLY148B, GLY15B, GLY221D, GLY227D, GLY23B, GLY31B, GLY58B, GLY60B, GLY66B, GLY69B, GLY90B, HIS110B, HIS149B, ILE17B, ILE18B, ILE225D, ILE229D, ILE230D, ILE3B, ILE71B, LEU13B, LEU144B, LEU21B, LEU231D, LEU36B, LEU44B, LEU64B, LYS62B, MET94B, PHE43B, PRO142B, PRO67B, PRO70B, PRO88B, SER138B, SER20B, SER222D, SER232D, SER37B, SER42B, SER61B, SER7B, THR108B, THR10B, THR19B, THR22B, THR38B, THR46B, THR4B, THR54B, THR63B, TRP85B, TYR6B, VAL107B, VAL113B, VAL150B, VAL223D, VAL224D, VAL226D, VAL29B, VAL33B, VAL35B, VAL55B, VAL83B