2TMD

correlation of x-ray deduced and experimental amino acid sequences of trimethylamine dehydrogenase

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 580
  • Norm. En. per Res.: -4.036
• Hub Node: A(1)

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	-356.1172	-281.7598	-1703.0	-2340.877	580	98	13	66003	30	251	244

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, ALA626A, ALA626B, ALA675A, ALA675B, ALA677A, ALA677B, ALA682A, ALA682B, ALA684A, ALA684B, ALA703A, ALA703B, ALA712A, ALA712B, ALA75A, ALA75B, ALA88A, ALA88B, ARG117A, ARG117B, ARG121A, ARG121B, ARG157B, ARG354A, ARG354B, ARG375A, ARG375B, ARG376A, ARG376B, ARG384A, ARG384B, ARG45A, ARG45B, ARG490A, ARG490B, ARG579A, ARG579B, ARG580A, ARG580B, ARG614A, ARG614B, ARG617A, ARG617B, ARG624A, ARG624B, ARG644A, ARG644B, ARG679A, ARG679B, ARG690A, ARG690B, ARG693A, ARG693B, ARG708A, ARG708B, ARG72A, ARG72B, ARG76A, ARG76B, ARG84A, ARG84B, ASN113A, ASN113B, ASN181A, ASN181B, ASN185A, ASN185B, ASN367A, ASN367B, ASN492A, ASN492B, ASN497A, ASN497B, ASN535B, 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, GLN178A, 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, GLY230A, GLY230B, GLY232A, GLY232B, GLY240A, GLY240B, GLY259A, GLY259B, GLY265A, GLY265B, GLY269A, GLY269B, GLY277A, GLY277B, GLY34A, GLY34B, GLY358A, GLY358B, GLY359A, GLY359B, GLY371A, GLY371B, GLY377A, GLY377B, GLY39A, GLY39B, GLY488A, GLY561A, GLY561B, GLY609A, GLY609B, GLY611A, GLY611B, GLY618A, GLY618B, GLY620A, GLY620B, GLY643A, GLY643B, GLY673A, GLY673B, GLY714A, GLY714B, GLY721A, GLY721B, GLY81A, GLY81B, HIS110A, HIS110B, HIS278A, HIS278B, HIS379A, HIS379B, HIS44A, HIS44B, HIS501A, HIS501B, HIS563A, HIS563B, HIS569A, HIS569B, HIS582A, HIS582B, HIS585A, HIS585B, HIS592A, HIS592B, 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, LEU141B, LEU285A, LEU285B, LEU499A, LEU499B, LEU581A, LEU581B, LEU584A, LEU584B, LEU671A, LEU671B, LEU680A, LEU680B, LEU73A, LEU73B, LEU86A, LEU86B, LYS137A, LYS137B, LYS186A, LYS186B, LYS284A, LYS284B, LYS37A, LYS37B, LYS382A, LYS382B, LYS387A, LYS48A, LYS48B, LYS613A, LYS613B, LYS655A, LYS655B, LYS707A, LYS707B, LYS724A, LYS724B, LYS728A, LYS728B, LYS87A, LYS87B, LYS95A, LYS95B, MET114A, MET114B, MET362A, MET362B, MET541A, MET541B, 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, SER173A, SER173B, SER353A, SER353B, SER35A, SER35B, SER411A, SER42A, SER42B, SER46A, SER46B, SER612A, SER612B, SER622A, SER622B, SER629A, SER629B, SER62A, SER62B, SER646A, SER646B, THR119A, THR119B, THR132A, THR132B, THR227A, THR227B, THR279A, THR279B, THR365A, THR365B, THR369A, THR369B, 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, TYR616A, TYR616B, TYR706A, TYR706B, TYR727A, TYR727B, TYR96A, TYR96B, VAL147A, VAL147B, VAL225A, VAL225B, VAL228A, VAL228B, VAL238A, VAL238B, VAL283B, VAL350A, VAL350B, VAL47A, VAL47B, VAL562A, VAL562B, VAL621A, VAL621B, VAL729A, VAL729B, VAL83A, VAL83B