1NS3

structure of hcv protease (bk strain)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 94
  • Norm. En. per Res.: -6.3694
• Hub Node: A(3)

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	-24.9622	-19.6601	-186.16	-230.7824	95	19	6	8647	2	17	20
A-C	-185.7838	-16.7454	-389.538	-592.0672	97	37	21	15366	1	4	5
A-D	0.0	0.0	-12.1149	-12.1149	10	1	0	567	0	0	3
B-C	0.0	0.0	-2.7858	-2.7858	5	0	1	194	0	0	0
B-D	-171.4071	-10.712	-416.602	-598.7211	94	27	19	15636	0	3	6
C-D	0.0	0.0	-0.0037	-0.0037	3	0	0	5	0	0	1

Interface residues

• A-B: ALA111A, ALA156B, ALA157B, ALA166B, ALA39A, ALA39B, ALA59B, ARG109A, ARG119B, ARG11A, ARG123B, ARG130A, ARG155A, ARG155B, ARG161A, ARG161B, ASN77B, ASP112A, ASP168B, ASP79B, ASP81B, CYS159A, CYS159B, CYS16A, CYS16B, GLN41A, GLN41B, GLN80B, GLN9A, GLY120B, GLY124B, GLY12A, GLY12B, GLY137A, GLY137B, GLY15A, GLY162A, GLY58B, GLY60B, HIS110A, HIS57B, ILE114A, ILE17A, ILE17B, ILE18A, ILE18B, LEU135A, LEU135B, LEU13A, LEU13B, LEU14A, LEU14B, LEU21B, LEU82B, LYS136A, LYS136B, LYS165B, LYS62B, PHE154B, PHE169B, PHE43A, PRO129A, PRO131A, SER122B, SER125B, SER128A, SER133A, SER138A, SER139B, SER20B, SER37A, SER37B, SER42A, SER42B, SER61B, SER7A, THR108A, THR160A, THR160B, THR38A, THR38B, THR40A, THR40B, TYR134A, TYR56B, VAL132A, VAL132B, VAL158B, VAL163A, VAL167B, VAL170B, VAL35A, VAL36A, VAL55B, VAL78B
• A-C: ALA111A, ALA150A, ALA39A, ALA45A, ALA59A, ALA5A, ALA65A, ALA87A, ALA91A, ARG109A, ARG11A, ARG228C, ARG24A, ARG92A, ASN27A, ASP112A, ASP25A, CYS16A, CYS47A, CYS52A, GLN28A, GLN34A, GLN41A, GLN73A, GLN8A, GLN9A, GLU30A, GLU32A, GLY12A, GLY137A, GLY141A, GLY148A, GLY15A, GLY221C, GLY227C, GLY23A, GLY31A, GLY58A, GLY60A, GLY66A, GLY69A, HIS110A, HIS149A, ILE17A, ILE18A, ILE225C, ILE229C, ILE230C, ILE3A, ILE71A, LEU106A, LEU13A, LEU144A, LEU21A, LEU231C, LEU44A, LEU64A, LEU94A, LYS220C, LYS26A, LYS62A, PHE43A, PRO142A, PRO67A, PRO70A, PRO88A, SER138A, SER20A, SER222C, SER232C, SER37A, SER42A, SER61A, SER7A, THR108A, THR10A, THR19A, THR22A, THR38A, THR46A, THR4A, THR54A, THR63A, TRP85A, TYR105A, TYR6A, VAL107A, VAL113A, VAL223C, VAL224C, VAL226C, VAL29A, VAL33A, VAL35A, VAL36A, VAL55A, VAL83A
• A-D: ARG11A, GLN8A, GLN9A, GLY12A, GLY221D, LYS220D, SER222D, SER7A, THR10A, TYR6A
• B-C: ALA39B, GLY227C, THR40B, VAL224C, VAL226C
• B-D: ALA111B, ALA150B, ALA39B, ALA45B, ALA59B, ALA5B, ALA65B, ALA87B, ALA91B, ARG109B, ARG11B, ARG228D, ARG24B, ARG92B, ASN27B, ASP112B, ASP25B, CYS16B, CYS52B, GLN28B, GLN34B, GLN41B, GLN73B, GLN8B, GLN9B, GLU30B, 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, LEU14B, LEU21B, LEU231D, LEU44B, LEU64B, LEU94B, LYS220D, LYS62B, 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, VAL223D, VAL224D, VAL226D, VAL29B, VAL33B, VAL35B, VAL36B, VAL83B
• C-D: ARG228C, GLY227C, LYS220D