1O95

ternary complex between trimethylamine dehydrogenase and electron transferring flavoprotein

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 179
  • Norm. En. per Res.: -4.8743
• 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	-280.8843	-217.6068	-1549.73	-2048.2211	584	130	13	65642	29	253	241
A-E	-20.8933	-11.2982	-121.761	-153.9524	76	8	3	4988	0	41	29
B-C	-22.4748	-11.0919	-128.953	-162.5197	69	9	3	4608	0	46	30
B-D	0.0	0.0	-0.0011	-0.0011	2	0	0	3	0	0	0
C-D	-144.6703	-152.1044	-575.724	-872.4987	179	67	19	24656	9	54	41
E-F	-141.3616	-133.9645	-558.828	-834.1541	180	84	18	24233	9	55	43

Interface residues

• A-B: ALA109A, ALA109B, ALA118A, ALA118B, ALA127A, ALA127B, ALA236A, ALA236B, ALA262A, ALA262B, ALA268A, ALA268B, ALA33A, ALA33B, ALA368A, ALA368B, ALA370A, ALA370B, ALA43A, ALA43B, ALA489A, ALA489B, ALA536A, ALA536B, ALA565A, ALA565B, ALA626A, ALA626B, ALA675A, ALA675B, ALA677A, ALA677B, ALA682A, ALA682B, ALA684A, ALA684B, ALA703A, ALA703B, ALA712A, ALA712B, ALA75A, ALA75B, ALA88A, ALA88B, ARG117A, ARG117B, ARG121A, ARG121B, ARG272A, ARG354A, ARG354B, ARG375A, ARG375B, ARG376A, ARG376B, ARG384A, ARG384B, ARG45A, ARG45B, ARG490A, ARG490B, ARG579A, ARG579B, ARG580A, ARG580B, ARG614A, ARG614B, ARG617A, ARG617B, ARG624A, ARG624B, ARG631B, ARG644A, ARG644B, ARG679A, ARG679B, ARG690A, ARG690B, ARG693A, ARG693B, ARG708A, ARG708B, ARG72A, ARG72B, ARG76A, ARG76B, ARG84A, ARG84B, ASN113A, ASN113B, ASN181B, ASN185A, ASN185B, ASN367A, ASN367B, ASN492A, ASN492B, ASN497A, ASN497B, ASN566A, ASN566B, ASN576A, ASN576B, ASN606A, ASN606B, ASN627A, ASN627B, ASN64A, ASN64B, ASN652A, ASN652B, ASN699A, ASN699B, ASN722A, ASN722B, ASN85A, ASN85B, ASP140A, ASP140B, ASP143A, ASP143B, ASP226A, ASP226B, ASP239A, ASP239B, ASP267A, ASP267B, ASP36A, ASP36B, ASP502A, ASP502B, ASP537A, ASP537B, ASP591A, ASP591B, ASP610A, ASP610B, ASP625A, ASP625B, ASP674A, ASP674B, ASP683A, ASP683B, ASP68A, ASP68B, ASP69A, ASP69B, ASP79A, ASP79B, ASP82A, ASP82B, ASP91A, ASP91B, CYS136A, CYS136B, CYS364A, CYS364B, CYS498A, CYS498B, CYS648A, CYS648B, GLN125A, GLN125B, GLN146A, GLN146B, GLN178B, GLN233A, GLN233B, GLN241A, GLN241B, GLN275A, GLN275B, GLN385A, GLN385B, GLN41A, GLN41B, GLN701A, GLN701B, GLU115A, GLU115B, GLU129A, GLU129B, GLU131A, GLU131B, GLU138A, GLU138B, GLU235A, GLU235B, GLU237A, GLU237B, GLU263A, GLU263B, GLU266A, GLU266B, GLU372A, GLU372B, GLU373A, GLU373B, GLU381A, GLU381B, GLU50A, GLU50B, GLU547A, GLU547B, GLU583A, GLU583B, GLU588A, GLU588B, GLU647A, GLU647B, GLU658A, GLU658B, GLU66A, GLU66B, GLU676A, GLU676B, GLU694A, GLU694B, GLU697A, GLU697B, GLU709A, GLU709B, GLU726A, GLU726B, GLU80A, GLU80B, GLU92A, GLU92B, GLY122B, GLY230A, GLY230B, GLY232A, GLY232B, GLY240A, GLY240B, GLY259A, GLY259B, GLY265A, GLY265B, GLY269A, GLY269B, GLY277A, GLY277B, GLY298A, GLY298B, GLY34B, GLY358A, GLY358B, GLY359A, GLY359B, GLY371A, GLY371B, GLY377A, GLY377B, GLY39A, GLY39B, GLY561A, GLY561B, GLY609A, GLY609B, GLY611A, GLY611B, GLY618A, GLY618B, GLY620A, GLY620B, GLY643A, GLY643B, GLY673A, GLY673B, GLY688A, GLY688B, GLY714A, GLY714B, GLY721A, GLY721B, GLY81A, GLY81B, HIS110A, HIS110B, HIS278A, HIS278B, HIS379A, HIS379B, HIS44A, HIS44B, HIS501A, HIS501B, HIS563A, HIS563B, HIS569A, HIS569B, HIS582A, HIS582B, HIS585B, HIS592A, HIS592B, HIS630B, HIS645A, HIS645B, HIS689A, HIS689B, HIS717A, HIS717B, HIS71A, HIS71B, ILE258A, ILE258B, ILE261A, ILE261B, ILE280A, ILE280B, ILE357A, ILE357B, ILE363A, ILE363B, ILE607A, ILE607B, ILE672A, ILE672B, ILE681A, ILE681B, ILE702A, ILE702B, ILE704A, ILE704B, ILE711A, ILE711B, ILE725A, ILE725B, ILE77A, ILE77B, LEU133A, LEU133B, LEU141A, LEU285A, LEU285B, LEU499A, LEU499B, LEU564B, LEU581A, LEU581B, LEU584A, LEU584B, LEU671A, LEU671B, LEU680A, LEU680B, LEU73A, LEU73B, LEU86A, LEU86B, LYS137A, LYS137B, LYS186A, LYS186B, LYS284A, LYS284B, LYS37A, LYS37B, LYS382A, LYS382B, LYS48B, LYS613A, LYS613B, LYS655A, LYS655B, LYS707A, LYS707B, LYS724A, LYS724B, LYS728A, LYS728B, LYS87A, LYS87B, LYS95A, MET114A, MET114B, MET362A, MET362B, MET541A, MET568A, MET568B, MET577A, MET577B, MET578A, MET578B, MET718A, MET718B, MET89A, MET89B, PHE130A, PHE130B, PHE150A, PHE150B, PHE273A, PHE273B, PHE329B, PHE383A, PHE383B, PHE40A, PHE40B, PHE540A, PHE540B, PHE570A, PHE570B, PHE686A, PHE686B, PHE723A, PHE723B, PRO112A, PRO112B, PRO120A, PRO120B, PRO182A, PRO182B, PRO231A, PRO231B, PRO270A, PRO270B, PRO281A, PRO281B, PRO360A, PRO360B, PRO361A, PRO361B, PRO380A, PRO380B, PRO38A, PRO38B, PRO503A, PRO503B, PRO575A, PRO575B, PRO619A, PRO619B, PRO623A, PRO623B, PRO65A, PRO65B, PRO678A, PRO678B, PRO705A, PRO705B, PRO716A, PRO716B, PRO719A, PRO719B, SER116A, SER116B, SER124A, SER124B, SER128A, SER128B, SER134A, SER134B, SER142A, SER142B, SER173B, SER353A, SER353B, SER35A, SER35B, SER42A, SER42B, SER46A, SER46B, SER612A, SER612B, SER622A, SER622B, SER629A, SER629B, SER62A, SER62B, SER646A, SER646B, SER74A, SER74B, THR119A, THR119B, THR132A, THR132B, THR227A, THR227B, THR279A, THR279B, THR365A, THR365B, THR369A, THR369B, THR386B, THR496A, THR496B, THR500A, THR500B, THR538A, THR538B, THR551A, THR615A, THR615B, THR628A, THR628B, THR642A, THR642B, THR685A, THR685B, THR687A, THR687B, THR70A, THR70B, THR710A, THR710B, THR715A, THR715B, TRP264A, TRP264B, TRP282A, TRP282B, TRP378A, TRP378B, TRP491A, TRP491B, TRP608A, TRP608B, TRP651A, TRP651B, TRP713A, TRP713B, TRP78A, TRP78B, TYR106A, TYR126A, TYR126B, TYR135A, TYR135B, TYR183A, TYR183B, TYR184A, TYR184B, TYR229A, TYR229B, TYR274A, TYR274B, TYR374A, TYR374B, TYR539A, TYR539B, TYR567A, TYR567B, TYR574A, TYR574B, TYR605A, TYR605B, TYR616A, TYR616B, TYR706A, TYR706B, TYR727A, TYR727B, TYR96A, TYR96B, VAL147A, VAL147B, VAL225A, VAL225B, VAL228A, VAL228B, VAL238A, VAL238B, VAL283A, VAL283B, VAL350A, VAL350B, VAL47A, VAL47B, VAL562A, VAL562B, VAL621A, VAL621B, VAL729A, VAL729B, VAL83A, VAL83B
• A-E: ALA12E, ALA192E, ALA1A, ALA464A, ALA480A, ALA662A, ALA78E, ARG190E, ARG195E, ARG2A, ASN458A, ASN664A, ASP16E, ASP340A, ASP34E, ASP390A, ASP3A, ASP473A, ASP474A, ASP481A, ASP665A, GLN462A, GLN467A, GLN477A, GLU14E, GLU15E, GLU422A, GLU460A, GLU663A, GLU71E, GLY196E, GLY337A, GLY466A, GLY479A, HIS416A, ILE197E, ILE394A, ILE666A, LEU13E, LEU194E, LEU393A, LEU417A, LEU455A, LEU463A, LEU465A, LEU476A, LYS188E, LYS198E, LYS389A, LYS453A, LYS456A, LYS457A, LYS459A, LYS468A, LYS482A, LYS75E, LYS79E, MET32E, MET470A, PHE30E, PRO189E, SER193E, SER391A, SER461A, THR414A, THR418A, THR420A, THR452A, TYR191E, TYR339A, TYR33E, TYR478A, VAL392A, VAL415A, VAL475A, VAL483A
• B-C: ALA12C, ALA192C, ALA1B, ALA464B, ALA480B, ALA78C, ARG190C, ARG195C, ARG2B, ARG338B, ASN458B, ASN664B, ASP16C, ASP340B, ASP34C, ASP390B, ASP473B, ASP474B, ASP481B, ASP665B, GLN462B, GLN467B, GLN477B, GLU14C, GLU15C, GLU460B, GLU663B, GLU71C, GLY196C, GLY337B, GLY466B, GLY479B, HIS416B, ILE197C, ILE394B, ILE666B, LEU13C, LEU194C, LEU393B, LEU455B, LEU463B, LEU465B, LEU476B, LYS188C, LYS198C, LYS453B, LYS456B, LYS457B, LYS459B, LYS468B, LYS482B, LYS75C, LYS79C, MET32C, MET470B, PRO189C, SER193C, SER391B, SER461B, THR414B, THR418B, TRP661B, TYR191C, TYR33C, TYR478B, VAL392B, VAL415B, VAL475B, VAL483B
• B-D: LYS138D, LYS456B
• C-D: ALA103D, ALA107D, ALA115D, ALA11C, ALA126C, ALA128C, ALA12C, ALA130D, ALA135C, ALA143C, ALA144C, ALA158C, ALA178C, ALA222C, ALA223C, ALA97C, ARG102C, ARG10D, ARG11D, ARG132D, ARG156D, ARG15D, ARG161C, ARG162C, ARG182D, ARG20C, ARG228C, ARG230C, ARG231C, ARG68C, ASN136D, ASN139C, ASN140D, ASN156C, ASN175C, ASN185D, ASP117D, ASP124C, ASP144D, ASP16C, ASP187D, ASP25C, ASP27C, ASP69D, ASP71D, ASP73D, ASP96C, ASP98D, CYS176C, GLN121C, GLN124D, GLN125C, GLN137D, GLN170C, GLN180D, GLN183C, GLN184D, GLN224C, GLU122D, GLU127D, GLU142D, GLU14C, GLU15C, GLU163C, GLU165C, GLU171C, GLU173C, GLU18C, GLU28C, GLU76D, GLU8D, GLY101C, GLY101D, GLY111D, GLY113D, GLY119C, GLY125D, GLY131C, GLY133D, GLY134D, GLY166C, GLY167C, GLY23C, HIS142C, HIS95D, HIS9D, ILE120D, ILE132C, ILE160C, ILE174C, ILE19C, ILE234C, ILE98C, LEU100D, LEU106D, LEU128D, LEU138C, LEU13C, LEU153D, LEU164C, LEU169C, LEU180C, LYS109D, LYS138D, LYS148D, LYS157C, LYS186D, LYS8C, MET168C, MET226C, MET232C, MET24C, MET31C, MET32C, PHE114D, PHE145D, PHE17C, PHE70D, PRO141C, PRO146D, PRO157D, PRO177C, PRO235C, PRO72D, PRO94D, SER104D, SER105D, SER108D, SER122C, SER123C, SER129C, SER133C, SER136C, SER181D, SER183D, SER225C, SER227C, SER67D, SER96D, SER99D, THR105C, THR10C, THR110D, THR116D, THR130C, THR131D, THR154D, THR181C, TRP140C, TRP38C, TYR102D, TYR112D, TYR119D, TYR123D, TYR127C, TYR135D, TYR137C, TYR188D, TYR233C, TYR33C, VAL120C, VAL129D, VAL134C, VAL139D, VAL141D, VAL143D, VAL145C, VAL146C, VAL151D, VAL152D, VAL159C, VAL172C, VAL179C, VAL17D, VAL189D, VAL229C, VAL26C, VAL97D, VAL99C
• E-F: ALA103F, ALA107F, ALA115F, ALA11E, ALA126E, ALA128E, ALA12E, ALA130F, ALA135E, ALA143E, ALA144E, ALA158E, ALA178E, ALA222E, ALA223E, ALA97E, ARG102E, ARG10F, ARG11F, ARG132F, ARG156F, ARG15F, ARG161E, ARG162E, ARG182F, ARG228E, ARG230E, ARG231E, ASN136F, ASN139E, ASN140F, ASN156E, ASN175E, ASN185F, ASP117F, ASP124E, ASP144F, ASP16E, ASP187F, ASP25E, ASP27E, ASP69F, ASP71F, ASP73F, ASP96E, ASP98F, CYS176E, GLN121E, GLN124F, GLN125E, GLN137F, GLN150E, GLN170E, GLN180F, GLN183E, GLN184F, GLN224E, GLU122F, GLU127F, GLU142F, GLU14E, GLU15E, GLU163E, GLU165E, GLU171E, GLU173E, GLU236E, GLU28E, GLU76F, GLU8F, GLY101E, GLY101F, GLY111F, GLY113F, GLY119E, GLY125F, GLY131E, GLY133F, GLY134F, GLY166E, GLY167E, GLY23E, HIS142E, HIS95F, HIS9F, ILE120F, ILE132E, ILE160E, ILE174E, ILE19E, ILE234E, ILE98E, LEU100F, LEU106F, LEU128F, LEU138E, LEU13E, LEU153F, LEU164E, LEU169E, LEU180E, LYS109F, LYS138F, LYS148F, LYS157E, LYS186F, LYS8E, MET168E, MET226E, MET232E, MET24E, MET31E, MET32E, PHE114F, PHE145F, PHE17E, PHE30E, PHE70F, PHE75F, PRO141E, PRO146F, PRO157F, PRO177E, PRO235E, PRO72F, PRO94F, SER104F, SER105F, SER108F, SER122E, SER123E, SER129E, SER133E, SER136E, SER181F, SER183F, SER225E, SER227E, SER67F, SER96F, SER99F, THR10E, THR110F, THR116F, THR130E, THR131F, THR150F, THR154F, THR181E, TRP140E, TRP38E, TYR102F, TYR112F, TYR119F, TYR123F, TYR127E, TYR135F, TYR137E, TYR188F, TYR233E, TYR33E, VAL120E, VAL129F, VAL134E, VAL139F, VAL141F, VAL143F, VAL145E, VAL146E, VAL151F, VAL152F, VAL159E, VAL172E, VAL179E, VAL17F, VAL189F, VAL229E, VAL26E, VAL97F, VAL99E