3TI5

crystal structure of 2009 pandemic h1n1 neuraminidase complexed with zanamivir

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -3.6102
• 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	-61.6696	-6.1767	-484.513	-552.3594	153	18	13	18609	0	27	29

Interface residues

• A-B: ALA138A, ALA177A, ALA201A, ALA203A, ALA462B, ALA98B, ARG107B, ARG152A, ARG156A, ARG172A, ARG419B, ARG428B, ASN104B, ASN141A, ASN141B, ASN146A, ASN170A, ASN170B, ASN199A, ASN208A, ASN450B, ASP103B, ASP113A, ASP113B, ASP142A, ASP198A, ASP213A, ASP452B, ASP460B, ASP469B, CYS124B, CYS129B, CYS421B, CYS447B, GLN136A, GLN395B, GLN412B, GLU128B, GLU165B, GLU174A, GLU402B, GLU463B, GLY109A, GLY109B, GLY112A, GLY112B, GLY137A, GLY164B, GLY193A, GLY196A, GLY200A, GLY209A, GLY414B, GLY448B, GLY455B, GLY461B, HIS144A, HIS412B, ILE108A, ILE108B, ILE163B, ILE194A, ILE210A, ILE211A, ILE215A, ILE262A, ILE397B, ILE444B, ILE468A, ILE99B, LEU127B, LEU139A, LEU139B, LEU140A, LEU158A, LEU205A, LEU412B, LEU415B, LEU426B, LEU464B, LYS102B, LYS111A, LYS111B, LYS143A, LYS150A, LYS206A, LYS216A, LYS261A, MET159A, PHE115A, PHE115B, PHE173A, PHE410B, PHE446B, PHE466A, PHE466B, PRO126B, PRO154A, PRO162B, PRO167B, PRO169A, PRO169B, PRO197A, PRO459B, PRO465B, SER101B, SER105B, SER110A, SER110B, SER125B, SER145A, SER153A, SER160A, SER168A, SER168B, SER171A, SER171B, SER175A, SER195A, SER217A, SER443B, SER445B, SER451B, SER457B, THR135A, THR148A, THR157A, THR212A, THR214A, THR413B, THR453B, THR467A, THR467B, TRP178A, TRP438B, TRP456B, TRP458B, TRP97B, TYR100B, TYR155A, TYR169A, TYR169B, TYR207A, VAL106B, VAL114A, VAL114B, VAL116A, VAL166B, VAL176A, VAL202A, VAL204A, VAL449B, VAL454B