1USX

crystal structure of the newcastle disease virus hemagglutinin-neuraminidase complexed with thiosialoside

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 179
  • Norm. En. per Res.: -3.2668
• 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	-79.2412	2.4572	-507.981	-584.765	179	42	12	20102	0	25	30
A-C	0.0	0.0	-8.4545	-8.4545	25	0	0	515	0	10	8
B-C	-15.4591	-10.6327	-95.5483	-121.6401	42	5	2	3864	3	10	16

Interface residues

• A-B: ALA155A, ALA155B, ALA165A, ALA165B, ALA207A, ALA207B, ALA215A, ALA215B, ALA524A, ALA524B, ALA546A, ALA546B, ARG212A, ARG212B, ARG218A, ARG218B, ARG225A, ARG225B, ARG235A, ARG235B, ARG516A, ARG516B, ARG557A, ARG557B, ASN161A, ASN161B, ASN550A, ASN550B, ASP129A, ASP230A, ASP230B, ASP231A, ASP231B, ASP278A, ASP278B, CYS172A, CYS172B, GLN157A, GLN157B, GLN204A, GLN204B, GLN233A, GLN233B, GLN280A, GLN280B, GLU158A, GLU158B, GLU547A, GLU547B, GLY169A, GLY169B, GLY171A, GLY171B, GLY195A, GLY209A, GLY209B, GLY217A, GLY217B, GLY279A, GLY279B, GLY554A, GLY554B, HIS159A, HIS159B, HIS189A, HIS189B, HIS201A, HIS201B, HIS203A, HIS203B, ILE127A, ILE163A, ILE163B, ILE192A, ILE192B, ILE219A, ILE219B, ILE227A, ILE227B, ILE548A, ILE548B, ILE558A, ILE558B, LEU160A, LEU160B, LEU193A, LEU193B, LEU206A, LEU206B, LEU224A, LEU224B, LEU229A, LEU229B, LEU275A, LEU543B, LEU552A, LEU552B, LEU561A, LEU561B, LEU562A, LEU562B, LYS523A, LYS523B, PHE156A, PHE156B, PHE162A, PHE162B, PHE220A, PHE220B, PHE221A, PHE221B, PHE553A, PHE553B, PRO126A, PRO126B, PRO164A, PRO164B, PRO166A, PRO166B, PRO501A, PRO501B, PRO560A, PRO560B, SER170A, SER170B, SER194A, SER194B, SER202A, SER202B, SER222A, SER222B, SER226A, SER226B, SER228A, SER228B, SER518A, SER518B, SER519A, SER519B, SER520A, SER520B, SER521A, SER521B, SER549A, SER549B, THR167A, THR167B, THR168A, THR168B, THR173A, THR173B, THR213A, THR213B, THR214A, THR214B, THR216A, THR216B, THR223A, THR223B, THR232A, THR232B, THR522A, THR522B, THR551A, THR551B, TYR185A, TYR185B, TYR205A, TYR205B, VAL191A, VAL191B, VAL210A, VAL210B, VAL517A, VAL517B, VAL559A, VAL559B, VAL563A, VAL563B
• A-C: ARG480C, ASN538C, ASP230A, ASP231A, GLN233A, GLN280A, GLU256A, GLU260A, GLY134C, GLY135C, HIS199A, HIS482C, ILE133C, ILE136C, LYS138C, LYS533C, LYS536C, PHE132C, PRO130C, SER200A, THR232A, THR255A, THR257A, VAL534C, VAL535C
• B-C: ALA215B, ALA215C, ARG212B, ARG212C, ARG218B, ARG218C, ASN538B, ASN538C, ASP129B, ASP129C, ASP131B, ASP131C, GLY134B, GLY134C, GLY217B, GLY217C, ILE133B, ILE133C, ILE219B, ILE219C, LYS533B, LYS536B, LYS536C, LYS539B, LYS539C, PHE132B, PHE132C, PHE220B, PRO130B, PRO130C, THR213B, THR213C, THR214B, THR214C, THR216B, THR216C, THR537B, THR537C, VAL534B, VAL534C, VAL535B, VAL535C