3HKW

hcv ns5b genotype 1a in complex with 1,5 benzodiazepine inhibitor 6

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 74
  • Norm. En. per Res.: -1.8806
• 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	-30.4842	-30.597	-78.082	-139.1632	74	4	1	4115	3	24	33
A-C	-13.5503	17.4169	-39.9843	-36.1178	55	2	0	2150	1	21	16

Interface residues

• A-B: ALA112B, ALA115B, ALA185A, ALA249B, ALA73A, ALA74A, ALA80B, ALA88B, ARG113B, ARG300A, ARG304A, ARG98B, ASN120B, ASN81B, ASP107B, ASP177B, ASP246B, ASP310A, CYS110B, CYS311A, GLN184A, GLN194A, GLN199A, GLN206A, GLN248B, GLN309A, GLU128B, GLU202A, GLU325A, GLU70A, GLU86B, GLU87B, GLY102B, GLY104B, GLY188A, GLY198A, HIS111B, LEU127B, LEU182A, LEU82B, LEU83B, LYS106B, LYS114B, LYS124B, LYS181A, LYS181B, LYS209A, LYS211A, LYS212A, LYS379A, LYS77A, LYS79B, MET173B, MET187A, PHE203A, PRO183A, PRO247B, SER121B, SER189A, SER190A, SER210A, SER84B, THR117B, THR312A, TRP123B, TYR103B, TYR191A, TYR195A, TYR296A, VAL116B, VAL186A, VAL205A, VAL78A, VAL85B
• A-C: ALA112A, ALA185C, ALA207C, ALA74C, ALA88A, ARG113A, ARG300C, ARG304C, ASN120A, ASN81A, ASP177A, ASP246A, ASP310C, CYS311C, GLN184C, GLN206C, GLN248A, GLN309C, GLU128A, GLU202C, GLU325C, GLU70C, GLU86A, GLU87A, GLY188C, HIS111A, LEU127A, LEU82A, LEU83A, LYS114A, LYS124A, LYS209C, LYS211C, LYS212C, LYS77C, MET173A, MET187C, MET313C, PHE203C, PRO183C, SER189C, SER190C, SER210C, SER84A, THR117A, THR312C, TRP123A, TYR191C, TYR195C, TYR296C, VAL116A, VAL186C, VAL67C, VAL71C, VAL85A