3KF2

the hcv ns3/ns4a protease apo structure

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 105
  • Norm. En. per Res.: -5.6665
• 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-C	-106.6797	-7.4531	-255.901	-370.0337	80	12	17	10399	0	4	4
A-B	-18.3636	1.0885	-101.315	-118.5901	60	8	5	4401	0	5	6
A-D	0.0	0.0	-33.6582	-33.6582	31	0	3	1720	0	3	2
C-B	0.0	0.0	-56.2543	-56.2543	18	0	0	1746	0	3	1
C-D	-31.5962	2.069	-92.1607	-121.6879	25	5	4	3396	0	0	4
B-D	-165.9026	-13.7294	-415.354	-594.986	105	20	22	16240	1	4	7

Interface residues

• A-C: ALA111A, ALA150A, ALA36C, ALA39A, ALA45A, ALA59A, ALA65A, ALA87A, ARG109A, ARG28C, ARG62A, ARG92A, ASP112A, CYS47A, CYS52A, GLN28A, GLN34A, GLN41A, GLN73A, GLN89A, GLU30A, GLU32A, GLY141A, GLY148A, GLY21C, GLY27C, GLY31A, GLY33C, GLY58A, GLY60A, GLY69A, GLY90A, HIS110A, HIS149A, ILE25C, ILE29C, ILE35A, ILE48A, ILE64A, LEU144A, LEU31C, LEU44A, LEU94A, LYS34C, PHE43A, PRO142A, PRO35C, PRO67A, PRO70A, PRO86A, PRO88A, SER138A, SER22C, SER32C, SER37A, SER66A, SER91A, SER93A, THR108A, THR38A, THR42A, THR46A, THR54A, THR61A, THR63A, THR95A, TRP85A, TYR105A, VAL107A, VAL113A, VAL23C, VAL24C, VAL26C, VAL29A, VAL30C, VAL33A, VAL36A, VAL55A, VAL71A, VAL83A
• A-B: ALA111B, ALA147A, ALA147B, ALA1B, ALA5B, ALA7B, ARG117B, ARG130B, ARG92A, ASP103A, ASP103B, ASP112B, CYS145A, CYS145B, CYS97A, CYS99A, GLN8B, GLU32A, GLY100A, GLY148A, GLY148B, HIS110B, HIS149A, ILE114A, ILE114B, ILE3B, LEU104A, LEU104B, LEU106A, LEU106B, LEU127A, LEU127B, LEU143A, LEU144A, LEU144B, LEU94A, PRO115A, PRO115B, PRO129B, PRO142A, PRO146A, PRO146B, PRO2B, PRO96A, SER101A, SER102A, SER128B, THR4B, THR95A, THR98A, TYR105A, TYR105B, TYR134B, TYR6B, VAL107A, VAL107B, VAL113A, VAL113B, VAL116B, VAL29A
• A-D: ALA111A, ALA36D, ARG109A, ARG92A, ASP112A, GLN28A, GLN34A, GLU30A, GLU32A, GLY31A, GLY90A, HIS110A, ILE114A, ILE35A, ILE37D, ILE38D, LEU106A, LEU144A, LEU44A, LYS34D, LYS40D, PRO142A, PRO35D, PRO39D, SER91A, THR108A, TYR105A, VAL107A, VAL113A, VAL29A, VAL33A
• C-B: ALA111B, ALA36C, ALA5B, ALA7B, GLN8B, GLN9B, GLU30B, GLY33C, HIS110B, ILE3B, LEU31C, LYS34C, PRO2B, PRO35C, SER32C, THR4B, TYR6B, VAL30C
• C-D: ALA36C, ALA36D, ARG28C, ARG28D, GLY27C, GLY33C, GLY33D, ILE25C, ILE29C, ILE29D, ILE37D, ILE38D, LEU31C, LEU31D, LYS34C, LYS34D, LYS40D, PRO35C, PRO35D, PRO39D, SER32C, SER32D, VAL26C, VAL30C, VAL30D
• B-D: ALA111B, ALA150B, ALA1B, ALA39B, ALA45B, ALA59B, ALA5B, ALA65B, ALA7B, ALA87B, ARG109B, ARG11B, ARG24B, ARG28D, ARG62B, ARG92B, ASN27B, ASP112B, ASP25B, CYS16B, CYS47B, CYS52B, GLN28B, GLN34B, GLN41B, GLN73B, GLN8B, GLN9B, GLU30B, GLU32B, GLY12B, GLY137B, GLY141B, GLY148B, GLY15B, GLY21D, GLY23B, GLY27D, GLY31B, GLY33D, GLY58B, GLY60B, GLY69B, HIS110B, HIS149B, ILE17B, ILE18B, ILE25D, ILE29D, ILE35B, ILE3B, ILE64B, LEU106B, LEU13B, LEU144B, LEU21B, LEU31D, LEU44B, LEU94B, LYS20D, LYS34D, PHE43B, PRO142B, PRO2B, PRO35D, PRO67B, PRO70B, PRO86B, PRO88B, SER138B, SER20B, SER22D, SER32D, SER37B, SER66B, SER91B, SER93B, THR108B, THR10B, THR19B, THR22B, THR38B, THR40B, THR42B, THR46B, THR4B, THR54B, THR61B, THR63B, TRP85B, TYR105B, TYR56B, TYR6B, VAL107B, VAL113B, VAL23D, VAL24D, VAL26D, VAL29B, VAL30D, VAL33B, VAL36B, VAL55B, VAL71B, VAL83B