3T1E

the structure of the newcastle disease virus hemagglutinin- neuraminidase (hn) ectodomain reveals a 4-helix bundle stalk

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 152
  • Norm. En. per Res.: -2.2374
• 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-B	-59.5152	7.4975	-288.068	-340.0857	152	26	1	12828	0	22	17
A-E	0.0	-15.186	-84.5258	-99.7118	66	1	3	3885	1	5	2
A-F	0.0	0.0	-56.35	-56.35	45	3	2	3023	0	3	2
B-F	0.0	0.0	-0.0094	-0.0094	3	0	0	8	0	0	0
E-F	0.0	1.0217	-82.3609	-81.3392	64	9	8	5061	0	7	7

Interface residues

• A-B: ALA125A, ALA125B, ALA155A, ALA155B, ALA165A, ALA165B, ALA206A, ALA206B, ALA214A, ALA214B, ARG211A, ARG211B, ARG217A, ARG217B, ARG224B, ARG234B, ARG556A, ARG556B, ASN161A, ASN161B, ASN227A, ASN227B, ASN549A, ASN549B, ASP229A, ASP229B, ASP230A, ASP230B, ASP277B, CYS123A, CYS172A, CYS172B, CYS195B, GLN157A, GLN157B, GLN203A, GLN203B, GLN232B, GLN279A, GLN279B, GLU158A, GLU158B, GLU554A, GLU554B, GLY124A, GLY169A, GLY169B, GLY171A, GLY171B, GLY194B, GLY216A, GLY216B, GLY278B, GLY553A, GLY553B, HIS159A, HIS159B, HIS188A, HIS188B, HIS200A, HIS202A, HIS202B, ILE163A, ILE163B, ILE191A, ILE191B, ILE226A, ILE226B, ILE557A, ILE557B, LEU160A, LEU160B, LEU205A, LEU205B, LEU223A, LEU223B, LEU228A, LEU228B, LEU542A, LEU542B, LEU551A, LEU551B, LEU560A, LEU560B, LEU561A, LEU561B, PHE156A, PHE156B, PHE162A, PHE162B, PHE192A, PHE192B, PHE219A, PHE219B, PHE220A, PHE220B, PHE276B, PHE552A, PHE552B, PHE555A, PHE555B, PRO126B, PRO164A, PRO164B, PRO166A, PRO166B, PRO559A, PRO559B, SER170A, SER170B, SER193A, SER193B, SER213A, SER213B, SER221A, SER221B, SER225A, SER225B, SER517A, SER517B, SER518A, SER518B, SER548A, SER548B, THR167A, THR167B, THR168A, THR168B, THR173A, THR173B, THR212A, THR215A, THR215B, THR222A, THR222B, THR231A, THR231B, THR550A, THR550B, TYR204A, TYR204B, TYR280A, TYR280B, VAL190A, VAL190B, VAL218A, VAL218B, VAL516A, VAL516B, VAL558A, VAL558B, VAL562B
• A-E: ALA106E, ALA125A, ALA182A, ALA241A, ALA95E, ARG224A, ARG273A, ARG310A, ARG479A, ASN105E, ASN115E, ASN309A, ASN480A, ASN98E, ASP277A, ASP308A, CYS123A, GLN113E, GLU139A, GLU91E, GLY124A, GLY134A, GLY137A, GLY245A, GLY275A, GLY278A, GLY407A, HIS410A, HIS481A, ILE102E, ILE103E, ILE107E, ILE114E, ILE136A, ILE307A, LEU110E, LEU207A, LEU244A, LEU94E, LEU97E, LYS138A, MET104E, PHE276A, PHE306A, PRO126A, PRO243A, SER101E, SER109E, SER111E, SER181A, SER378A, SER380A, SER409A, SER92E, THR108E, THR183A, THR242A, THR379A, THR405A, THR408A, THR99E, TYR112E, VAL127A, VAL209A, VAL377A, VAL406A
• A-F: ALA106F, ALA125A, ALA182A, ALA89F, ARG211A, ARG224A, ARG479A, ASN105F, ASN115F, ASP129A, ASP131A, CYS123A, GLN113F, GLU100F, GLY124A, GLY134A, GLY135A, HIS128A, ILE102F, ILE103F, ILE107F, ILE114F, ILE133A, ILE136A, LEU110F, LEU210A, LEU223A, LEU97F, LYS138A, MET104F, PHE276A, PRO126A, PRO130A, SER101F, SER109F, SER111F, SER181A, THR108F, THR183A, THR212A, TYR112F, TYR132A, VAL127A, VAL209A, VAL534A
• B-F: ARG224B, ASN115F, ILE114F
• E-F: ALA106E, ALA106F, ALA89E, ALA89F, ALA95E, ARG83F, ASN105E, ASN115E, ASN115F, ASN98E, ASN98F, ASP79E, ASP79F, ASP82E, ASP82F, GLN113E, GLN113F, GLN87E, GLN87F, GLU100E, GLU100F, GLU91E, ILE102E, ILE102F, ILE103E, ILE103F, ILE107E, ILE107F, ILE114E, ILE114F, ILE84E, ILE84F, LEU110E, LEU110F, LEU90F, LEU94E, LEU96E, LEU96F, LEU97E, LEU97F, LYS86E, LYS86F, MET104E, MET104F, PRO93E, PRO93F, SER101F, SER109E, SER109F, SER111E, SER111F, SER92E, SER92F, THR108E, THR108F, THR99E, THR99F, TYR112F, TYR85E, TYR85F, VAL81E, VAL81F, VAL88E, VAL88F