2DXS

crystal structure of hcv ns5b rna polymerase complexed with a tetracyclic inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 173
  • Norm. En. per Res.: -2.2393
• 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	-60.7864	38.2665	-364.877	-387.3969	173	20	8	15853	0	62	56

Interface residues

• A-B: ALA115A, ALA115B, ALA442A, ALA442B, ALA450A, ALA450B, ALA541A, ALA541B, ALA542A, ALA542B, ALA80A, ALA80B, ALA88A, ALA88B, ARG109A, ARG109B, ARG465A, ARG465B, ARG517A, ARG517B, ASN110A, ASN110B, ASN117A, ASN117B, ASP107A, ASP107B, ASP125B, ASP164A, ASP164B, ASP177A, ASP177B, ASP244A, ASP244B, ASP444A, ASP444B, ASP458A, ASP458B, CYS445A, CYS445B, CYS451A, CYS451B, CYS89A, CYS89B, GLN446A, GLN446B, GLN461A, GLN461B, GLN544A, GLN544B, GLU455A, GLU455B, GLU464A, GLU464B, GLU86A, GLU86B, GLU87A, GLU87B, GLY102A, GLY102B, GLY449A, GLY449B, HIS118A, HIS118B, HIS120A, HIS120B, ILE119A, ILE119B, ILE413A, ILE413B, ILE447A, ILE447B, ILE454A, ILE454B, ILE462A, ILE462B, ILE463A, ILE463B, ILE539A, ILE539B, LEU111A, LEU111B, LEU409A, LEU409B, LEU443A, LEU443B, LEU457A, LEU457B, LEU459A, LEU459B, LEU466A, LEU466B, LEU82A, LEU82B, LEU83A, LEU83B, LEU91A, LEU91B, LYS100A, LYS100B, LYS106A, LYS106B, LYS114A, LYS114B, LYS124A, LYS124B, LYS172A, LYS172B, LYS79A, LYS79B, LYS81A, LYS81B, LYS90A, LYS90B, LYS98A, LYS98B, PHE101A, PHE101B, PRO456A, PRO456B, PRO460A, PRO460B, PRO538A, PRO538B, PRO540A, PRO540B, PRO93A, PRO93B, PRO94A, PRO94B, SER112A, SER112B, SER113A, SER113B, SER121A, SER121B, SER180A, SER180B, SER453A, SER453B, SER543A, SER543B, SER84A, SER84B, SER99A, SER99B, THR181A, THR181B, THR77A, THR77B, THR92A, THR92B, TYR103A, TYR103B, TYR176A, TYR176B, TYR448A, TYR448B, TYR452A, TYR452B, VAL108A, VAL108B, VAL116A, VAL116B, VAL122A, VAL122B, VAL178A, VAL178B, VAL185A, VAL185B, VAL78A, VAL78B, VAL85A, VAL85B