2F2F

crystal structure of cytolethal distending toxin (cdt) from actinobacillus actinomycetemcomitans

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 131
  • Norm. En. per Res.: -4.5307
• 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	-39.5314	-6.7181	-268.64	-314.8894	110	13	6	10813	3	23	27
A-C	-133.9829	-4.3064	-445.989	-584.2782	131	37	13	17335	0	12	2
B-C	-124.6499	-71.4053	-411.509	-607.5642	150	18	7	16209	6	22	27
B-E	-2.1248	-3.4376	-121.565	-127.1274	66	10	0	5085	0	14	11
D-E	-47.472	-6.6192	-268.836	-322.9272	110	11	6	10819	3	23	27
D-F	-133.1451	-4.2799	-456.093	-593.518	131	41	13	17262	0	12	2
E-F	-123.3286	-72.741	-414.101	-610.1706	147	17	7	16218	6	22	27

Interface residues

• A-B: ALA168A, ALA213A, ALA221A, ALA225B, ALA253B, ALA259B, ARG100B, ARG124A, ARG128A, ARG232B, ARG254B, ARG256B, ARG267B, ARG283B, ARG50B, ARG98B, ASN102B, ASN223A, ASN264B, ASN46B, ASN76A, ASN94B, ASP165A, ASP273B, ASP282B, CYS150A, GLN265B, GLN269B, GLN51B, GLN57B, GLU119A, GLU125A, GLU158A, GLU160A, GLU228B, GLU255B, GLU56B, GLU73A, GLY121A, GLY167A, GLY234B, GLY258B, GLY55B, GLY58B, GLY96B, HIS123A, HIS231B, HIS281B, ILE118A, ILE222B, ILE223B, ILE224B, ILE236B, ILE257B, ILE270B, LEU152A, LEU161A, LEU162A, LEU212A, LEU261B, LEU263B, LEU266B, LEU80A, LEU95B, LYS117A, LYS122A, LYS172A, MET262B, MET78A, PHE127A, PHE129A, PHE275B, PHE279B, PHE77A, PRO101B, PRO120A, PRO163A, PRO214A, PRO215A, PRO226B, PRO229B, PRO276B, PRO71A, PRO74A, SER166A, SER233B, SER260B, SER268B, SER272B, SER278B, SER54B, SER72A, SER73B, SER75A, SER99B, THR164A, THR220A, THR227B, THR230B, THR79A, THR97B, TRP116A, TYR126A, TYR211A, VAL130A, VAL169A, VAL170A, VAL222A, VAL277B, VAL280B
• A-C: ALA124C, ALA161C, ALA168A, ALA201A, ALA213A, ALA219A, ALA221A, ALA48C, ALA86A, ARG114A, ARG156C, ARG177C, ARG39C, ARG43C, ARG80C, ASN104A, ASN115A, ASN116C, ASN121C, ASN223A, ASN76A, ASN84A, ASP140C, ASP165A, ASP199A, ASP207A, ASP81C, CYS179A, CYS198A, GLN108A, GLN163C, GLN208A, GLN49C, GLN83A, GLU160A, GLU203A, GLU218A, GLU73A, GLY123C, GLY155C, GLY165C, GLY167A, GLY171C, GLY200A, GLY82A, GLY82C, GLY83C, GLY85A, HIS139C, HIS65C, ILE105A, ILE118C, ILE151C, ILE166C, ILE171A, ILE175C, ILE40C, LEU117C, LEU126C, LEU160C, LEU161A, LEU162A, LEU167C, LEU176C, LEU212A, LEU217A, LEU45C, LEU46C, LEU79C, LEU87A, LYS128C, LYS172A, LYS174C, MET78A, MET81A, PHE125C, PHE141C, PHE158C, PHE170C, 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, THR197A, THR202A, THR209A, THR220A, THR47C, THR64C, THR79A, THR84C, TRP164C, TRP210A, TYR106A, TYR162C, TYR182A, TYR189A, TYR211A, TYR61C, VAL153C, VAL169A, VAL170A, VAL185A, VAL216A, VAL222A
• B-C: ALA115B, ALA124C, ALA161B, ALA163B, ALA39B, ARG100B, ARG110B, ARG117B, ARG144B, ARG156C, ARG177C, 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, HIS160B, HIS231B, HIS274B, ILE118C, ILE166C, ILE175C, ILE236B, ILE270B, ILE40C, ILE47B, ILE69C, LEU111B, LEU117C, LEU120B, LEU141B, LEU162B, LEU167C, LEU176C, LEU261B, LEU266B, LEU34B, LEU34C, LEU42C, LEU45C, LEU68C, LEU85C, LEU95B, LYS174C, LYS44B, LYS72C, LYS74C, LYS89C, PHE125C, PHE170C, PHE275B, PHE88C, PRO119C, PRO145B, PRO168C, PRO169C, PRO178C, PRO226B, PRO229B, PRO26C, PRO30C, PRO36C, PRO37C, PRO38C, PRO71B, PRO87B, SER109B, SER138B, SER139B, SER143B, 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, VAL140B, VAL153C, VAL32C, VAL40B, VAL86C
• B-E: ARG174B, ARG174E, ARG189B, ARG189E, ARG190B, ARG190E, ASN175B, ASN175E, ASP137B, ASP137E, GLN142B, GLN142E, GLU188B, GLU188E, GLY84B, GLY84E, GLY85B, GLY85E, HIS135B, HIS135E, HIS83B, HIS83E, ILE133B, ILE133E, LEU141B, LEU141E, LEU172B, LEU172E, PHE177B, PHE177E, PHE180B, PHE180E, PRO145B, PRO145E, PRO184B, PRO184E, PRO187B, PRO187E, SER136B, SER136E, SER138B, SER138E, SER139B, SER139E, SER171B, SER171E, SER182B, SER182E, SER183B, SER183E, SER185B, SER185E, SER186B, SER186E, THR178B, THR178E, THR179B, THR179E, THR181B, THR181E, THR86B, THR86E, VAL134B, VAL134E, VAL140B, VAL140E
• D-E: ALA168D, ALA213D, ALA221D, ALA225E, ALA253E, ALA259E, ARG100E, ARG124D, ARG128D, ARG232E, ARG254E, ARG256E, ARG267E, ARG283E, ARG50E, ARG98E, ASN102E, ASN223D, ASN264E, ASN46E, ASN76D, ASN94E, ASP165D, ASP273E, ASP282E, GLN265E, GLN269E, GLN51E, GLN57E, GLU119D, GLU125D, GLU158D, GLU160D, GLU228E, GLU255E, GLU56E, GLU73D, GLY121D, GLY167D, GLY234E, GLY258E, GLY55E, GLY58E, GLY96E, HIS123D, HIS231E, HIS281E, ILE118D, ILE222E, ILE223E, ILE224E, ILE236E, ILE257E, ILE270E, LEU152D, LEU161D, LEU162D, LEU212D, LEU261E, LEU263E, LEU266E, LEU53E, LEU80D, LEU95E, LYS117D, LYS122D, LYS172D, MET262E, MET78D, PHE127D, PHE129D, PHE275E, PHE279E, PHE77D, PRO101E, PRO120D, PRO163D, PRO214D, PRO215D, PRO226E, PRO229E, PRO276E, PRO71D, PRO74D, SER166D, SER233E, SER260E, SER268E, SER272E, SER278E, SER54E, SER72D, SER73E, SER75D, SER99E, THR164D, THR220D, THR227E, THR230E, THR79D, THR97E, TRP116D, TYR126D, TYR211D, VAL130D, VAL169D, VAL170D, VAL222D, VAL277E, VAL280E
• D-F: ALA124F, ALA161F, ALA168D, ALA201D, ALA213D, ALA219D, ALA221D, ALA48F, ALA86D, ARG114D, ARG156F, ARG177F, ARG39F, ARG43F, ARG80F, ASN104D, ASN115D, ASN116F, ASN121F, ASN223D, ASN76D, ASN84D, ASP140F, ASP165D, ASP199D, ASP207D, ASP81F, CYS179D, CYS198D, GLN108D, GLN163F, GLN208D, GLN49F, GLN83D, GLU160D, GLU203D, GLU218D, GLU73D, GLY123F, GLY155F, GLY165F, GLY167D, GLY171F, GLY200D, GLY82D, GLY82F, GLY83F, GLY85D, HIS139F, HIS65F, ILE105D, ILE118F, ILE151F, ILE166F, ILE171D, ILE175F, ILE40F, LEU117F, LEU126F, LEU160F, LEU161D, LEU162D, LEU167F, LEU176F, LEU212D, LEU217D, LEU45F, LEU46F, LEU79F, LEU87D, LYS128F, LYS172D, LYS174F, MET78D, MET81D, PHE125F, PHE141F, PHE158F, PHE170F, PHE77D, PRO103D, PRO119F, PRO163D, PRO168F, PRO169F, PRO172F, PRO178F, PRO184D, PRO204D, PRO214D, PRO215D, PRO50F, PRO71D, PRO74D, SER107D, SER138F, SER152F, SER154F, SER159F, SER166D, SER173F, SER41F, SER44F, SER72D, SER75D, THR120F, THR122F, THR157F, THR164D, THR197D, THR202D, THR209D, THR220D, THR47F, THR64F, THR79D, THR84F, TRP164F, TRP210D, TYR106D, TYR162F, TYR182D, TYR189D, TYR211D, TYR61F, VAL153F, VAL169D, VAL170D, VAL185D, VAL216D, VAL222D
• E-F: ALA115E, ALA124F, ALA161E, ALA163E, ALA39E, ARG100E, ARG110E, ARG117E, ARG144E, ARG156F, ARG177F, ARG232E, ARG267E, ARG39F, ARG50E, ARG80F, ARG98E, ASN116E, ASN119E, ASN121F, ASN201E, ASN235E, ASN33E, ASN41E, ASN46E, ASN48E, ASP112E, ASP199E, ASP25F, ASP273E, ASP31F, ASP70F, GLN142E, GLN265E, GLN269E, GLN35E, GLN51E, GLN65E, GLN87F, GLU228E, GLU33F, GLU42E, GLU66E, GLU67F, GLU77F, GLY114E, GLY123F, GLY155F, GLY165F, GLY166E, GLY234E, GLY36E, GLY55E, GLY82F, GLY83F, GLY96E, HIS160E, HIS231E, HIS274E, ILE118F, ILE166F, ILE175F, ILE236E, ILE270E, ILE40F, ILE47E, ILE69F, LEU111E, LEU117F, LEU120E, LEU141E, LEU162E, LEU167F, LEU176F, LEU261E, LEU266E, LEU34E, LEU34F, LEU45F, LEU68F, LEU85F, LEU95E, LYS174F, LYS44E, LYS72F, LYS74F, PHE125F, PHE275E, PHE88F, PRO119F, PRO145E, PRO168F, PRO169F, PRO178F, PRO226E, PRO229E, PRO26F, PRO30F, PRO36F, PRO37F, PRO38F, PRO71E, PRO87E, SER109E, SER138E, SER139E, SER143E, SER154F, SER173F, SER233E, SER268E, SER272E, SER35F, SER37E, SER38E, SER41F, SER43E, SER54E, SER69E, SER72E, SER73E, SER99E, THR120F, THR122F, THR164E, THR227E, THR230E, THR271E, THR27F, THR28F, THR84F, THR86E, THR97E, TRP164F, TRP32E, TRP45E, TRP66F, TRP93E, TYR29F, TYR71F, VAL113E, VAL118E, VAL140E, VAL153F, VAL32F, VAL40E, VAL86F