1SR4

crystal structure of the haemophilus ducreyi cytolethal distending toxin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 133
  • Norm. En. per Res.: -4.4873
• 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	-53.9314	18.6698	-357.123	-392.3845	123	8	6	13394	4	24	30
A-C	-130.3145	-8.3839	-458.114	-596.8124	133	26	14	17408	1	9	1
B-C	-107.5684	-41.8447	-400.888	-550.3011	147	14	7	16156	4	20	26

Interface residues

• A-B: ALA168A, ALA213A, ALA221A, ALA225B, ALA253B, ALA259B, ARG100B, ARG124A, ARG128A, ARG232B, ARG254B, ARG256B, ARG267B, ARG281B, ARG283B, ARG50B, ARG67A, ARG98B, ASN102B, ASN223A, ASN264B, ASN46B, ASN66A, ASN76A, ASN94B, ASP165A, ASP273B, ASP282B, CYS150A, GLN265B, GLN269B, GLN51B, GLN57B, GLN68A, GLU119A, GLU125A, GLU158A, GLU160A, GLU228B, GLU255B, GLU56B, GLU73A, GLY121A, GLY167A, GLY234B, GLY258B, GLY55B, GLY58B, GLY96B, HIS123A, HIS231B, ILE171A, ILE222B, ILE223B, ILE224B, ILE236B, ILE257B, ILE270B, LEU152A, LEU161A, LEU162A, LEU212A, LEU217A, LEU242B, LEU261B, LEU263B, LEU266B, LEU53B, LEU59A, LEU70A, LEU80A, LEU95B, LYS117A, LYS122A, LYS172A, LYS28B, MET118A, MET262B, MET78A, PHE127A, PHE129A, PHE159A, PHE275B, PHE77A, PRO101B, PRO120A, PRO163A, PRO214A, PRO215A, PRO226B, PRO229B, PRO276B, PRO65A, PRO71A, PRO74A, SER166A, SER233B, SER260B, SER268B, SER272B, SER278B, SER54B, SER72A, SER73B, SER75A, SER99B, THR164A, THR220A, THR227B, THR230B, THR271B, THR79A, THR97B, TRP116A, TYR126A, TYR211A, VAL130A, VAL169A, VAL170A, VAL222A, VAL277B, VAL280B, VAL69A
• A-C: ALA124C, ALA161C, ALA168A, ALA201A, ALA213A, ALA219A, ALA221A, ALA48C, ALA86A, ARG114A, ARG156C, ARG39C, ARG43C, ARG80C, ASN104A, ASN115A, ASN116C, ASN121C, ASN223A, ASN76A, ASN84A, ASP140C, ASP165A, ASP199A, ASP207A, ASP81C, CYS179A, CYS198A, GLN108A, GLN163C, GLN208A, GLN49C, GLN68A, GLN83A, GLU203A, GLU218A, GLU73A, GLY123C, GLY151C, GLY155C, GLY165C, GLY167A, GLY171C, GLY200A, GLY82A, GLY82C, GLY83C, GLY85A, HIS139C, HIS65C, ILE105A, ILE118C, ILE166C, ILE171A, ILE175C, ILE177C, ILE40C, LEU117C, LEU126C, LEU160C, LEU161A, LEU162A, LEU167C, LEU176C, LEU212A, LEU217A, LEU45C, LEU46C, LEU70A, LEU79C, LEU87A, LYS128C, LYS172A, LYS174C, MET78A, MET81A, PHE125C, PHE141C, PHE158C, PHE170C, PHE189A, PHE77A, PRO103A, PRO119C, PRO163A, PRO168C, PRO169C, PRO172C, PRO178C, PRO184A, PRO204A, PRO214A, PRO215A, PRO50C, PRO71A, PRO74A, SER107A, SER138C, SER152C, SER154C, SER159C, SER166A, SER173C, SER41C, SER44C, SER72A, SER75A, THR120C, THR122C, THR157C, THR164A, THR202A, THR209A, THR220A, THR47C, THR64C, THR79A, THR84C, TRP164C, TRP210A, TYR102A, TYR106A, TYR162C, TYR182A, TYR211A, TYR61C, VAL153C, VAL169A, VAL170A, VAL185A, VAL216A, VAL222A, VAL69A
• B-C: ALA115B, ALA124C, ALA161B, ALA163B, ALA39B, ARG100B, ARG110B, ARG117B, ARG144B, ARG156C, ARG232B, ARG267B, ARG39C, ARG50B, ARG80C, ARG98B, ASN116B, ASN119B, ASN121C, ASN201B, ASN235B, ASN33B, ASN41B, ASN46B, ASN48B, ASP112B, ASP199B, ASP25C, ASP273B, ASP31C, ASP70C, GLN142B, GLN265B, GLN269B, GLN35B, GLN51B, GLN65B, GLN87C, GLU228B, GLU33C, GLU42B, GLU66B, GLU67C, GLU77C, GLY114B, GLY123C, GLY155C, GLY165C, GLY166B, GLY234B, GLY36B, GLY55B, GLY82C, GLY83C, GLY96B, HIS135B, HIS160B, HIS231B, HIS274B, ILE118C, ILE166C, ILE175C, ILE177C, ILE236B, ILE270B, ILE40C, ILE47B, ILE69C, LEU111B, LEU117C, LEU120B, LEU141B, LEU162B, LEU167C, LEU176C, LEU261B, LEU266B, LEU34B, LEU34C, LEU45C, LEU68C, LEU85C, LEU95B, LYS174C, LYS44B, LYS72C, LYS74C, PHE125C, PHE275B, PHE88C, PRO119C, PRO145B, PRO168C, PRO169C, PRO178C, PRO204B, PRO226B, PRO229B, PRO26C, PRO30C, PRO36C, PRO37C, PRO38C, PRO71B, PRO87B, SER109B, SER143B, SER152C, SER154C, SER173C, SER233B, SER268B, SER272B, SER35C, SER37B, SER38B, SER41C, SER43B, SER54B, SER69B, SER72B, SER73B, SER99B, THR120C, THR122C, THR164B, THR227B, THR230B, THR271B, THR27C, THR28C, THR84C, THR86B, THR97B, TRP164C, TRP32B, TRP45B, TRP66C, TRP93B, TYR29C, TYR71C, VAL113B, VAL118B, VAL153C, VAL32C, VAL40B, VAL86C