3AYY

membrane-bound respiratory [nife] hydrogenase from hydrogenovibrio marinus in a ferricyanide-oxidized condition

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 342
  • Norm. En. per Res.: -4.4886
• 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	-230.1786	-74.1681	-1230.74	-1535.0867	342	45	16	47698	9	97	89
A-C	-24.4946	-32.811	-135.62	-192.9256	50	7	0	5185	4	16	18
A-D	-48.591	-18.8179	-235.817	-303.2259	87	6	4	9349	2	23	15
B-C	-27.0053	-14.2905	-241.818	-283.1139	86	8	4	9355	2	23	15
B-D	-19.3237	37.2572	-182.772	-164.8385	74	17	1	6842	2	28	47
C-D	-235.6299	-49.9442	-1223.53	-1509.1041	342	42	15	47256	7	96	89

Interface residues

• A-B: ALA129B, ALA130B, ALA137B, ALA162B, ALA210A, ALA219B, ALA222A, ALA241A, ALA249A, ALA250A, ALA252A, ALA34B, ALA38B, ALA499A, ALA56B, ALA57B, ALA592A, ALA61B, ALA62B, ALA64B, ALA68A, ALA70A, ARG12B, ARG170A, ARG18A, ARG201B, ARG220B, ARG243B, ARG258A, ARG26A, ARG32A, ARG32B, ARG383A, ARG523A, ARG54A, ARG61A, ARG63A, ARG66A, ARG74A, ARG99B, ASN102A, ASN133A, ASN133B, ASN185A, ASN228A, ASN232A, ASN237B, ASN243A, ASN245B, ASN255A, ASN372A, ASN385A, ASN500A, ASN84B, ASN88B, ASP118A, ASP130A, ASP176A, ASP212A, ASP215B, ASP216B, ASP22A, ASP247A, ASP268B, ASP40B, ASP495A, ASP49B, ASP502A, ASP505A, ASP51B, ASP52B, ASP575A, ASP64A, ASP67A, ASP90B, CYS121B, CYS126B, CYS158B, CYS239B, CYS23B, CYS240A, CYS258B, CYS25B, CYS261B, CYS26B, CYS33A, CYS590A, CYS593A, CYS76A, CYS79A, CYS94B, GLN104B, GLN128B, GLN136B, GLN172A, GLN179A, GLN209B, GLN214A, GLN253B, GLN89B, GLU103B, GLU163B, GLU209A, GLU212B, GLU213B, GLU216A, GLU217B, GLU22B, GLU257A, GLU28A, GLU28B, GLU370A, GLU374A, GLU388A, GLU576A, GLU57A, GLU63B, GLU68B, GLU73A, GLU82B, GLY125B, GLY157B, GLY178A, GLY181A, GLY186A, GLY20B, GLY218B, GLY222B, GLY225A, GLY226A, GLY229B, GLY236A, GLY237A, GLY246A, GLY246B, GLY247B, GLY251A, GLY255B, GLY257B, GLY260B, GLY270B, GLY29A, GLY381A, GLY494A, GLY50A, GLY55A, GLY59B, GLY62A, GLY77A, GLY83B, GLY91B, GLY97B, GLY98B, HIS117A, HIS125A, HIS19B, HIS204B, HIS221A, HIS230A, HIS256B, HIS30A, HIS35B, HIS585A, HIS596A, HIS60B, HIS83A, ILE161B, ILE167A, ILE171A, ILE182A, ILE217A, ILE21A, ILE220A, ILE223A, ILE242A, ILE244A, ILE252B, ILE254A, ILE259B, ILE27A, ILE31B, ILE386A, ILE387A, ILE389A, ILE46B, ILE59A, ILE65B, ILE69B, ILE75A, ILE95B, ILE96B, LEU114A, LEU126A, LEU129A, LEU180A, LEU18B, LEU208A, LEU211A, LEU21B, LEU225B, LEU265A, LEU375A, LEU37B, LEU43B, LEU48B, LEU54B, LEU56A, LEU581A, LEU591A, LEU60A, LEU66B, LYS131B, LYS173A, LYS184A, LYS215A, LYS219A, LYS221B, LYS227A, LYS231B, LYS269B, LYS39B, LYS72B, MET158A, MET234A, MET248A, MET31A, MET45B, MET52A, MET55B, MET92B, PHE101B, PHE174A, PHE183A, PHE213A, PHE224A, PHE250B, PHE261A, PHE266B, PHE272B, PHE30B, PHE71A, PRO100A, PRO100B, PRO11B, PRO132B, PRO134A, PRO134B, PRO14B, PRO159B, PRO160B, PRO203B, PRO229A, PRO231A, PRO239A, PRO23A, PRO251B, PRO253A, PRO36B, PRO371A, PRO574A, PRO577A, PRO65A, PRO86B, SER120B, SER177A, SER249B, SER254B, SER262B, SER271B, SER274B, SER27B, SER29B, SER33B, SER382A, SER396A, SER44B, SER47B, SER496A, SER497A, SER58B, SER93B, THR135B, THR13B, THR205A, THR248B, THR24B, THR25A, THR369A, THR379A, THR384A, THR498A, THR49A, THR501A, THR51A, THR53B, THR595A, THR80A, TRP188A, TRP214B, TRP244B, TRP267B, TRP352A, TRP397A, TRP504A, TRP53A, TRP69A, TYR124A, TYR163A, TYR187A, TYR193A, TYR200B, TYR207A, TYR223B, TYR233A, TYR273B, TYR373A, TYR395A, TYR50B, TYR73B, VAL121A, VAL127B, VAL132A, VAL15B, VAL175A, VAL19A, VAL204A, VAL20A, VAL211B, VAL218A, VAL228B, VAL235A, VAL238A, VAL24A, VAL262A, VAL41B, VAL42B, VAL578A, VAL580A, VAL58A, VAL72A, VAL78A, VAL88A
• A-C: ASN275A, ASN275C, ASP166A, ASP166C, GLN143A, GLN143C, GLN149A, GLN149C, GLU147A, GLU147C, GLU209A, GLU209C, GLY162A, GLY162C, HIS155A, HIS155C, HIS156A, HIS156C, ILE167A, ILE167C, ILE169A, ILE169C, LYS150A, LYS150C, LYS165A, LYS165C, LYS219A, LYS219C, MET158A, MET158C, PHE164A, PHE164C, PRO154A, PRO154C, PRO157A, PRO157C, PRO161A, PRO161C, SER146A, SER146C, SER153A, SER153C, SER159A, SER159C, SER160A, SER160C, THR205A, THR205C, TYR163A, TYR163C
• A-D: ALA162D, ALA238D, ALA249A, ALA250A, ALA252A, ALA34D, ARG177D, ARG194D, ARG243D, ARG258A, ASN237D, ASN243A, ASN255A, ASN260A, ASN485A, ASN490A, ASN493A, ASP176D, ASP182D, ASP197D, ASP245A, ASP247A, ASP40D, CYS239D, GLN193D, GLU163D, GLU180D, GLU257A, GLU267A, GLY167D, GLY246A, GLY246D, GLY247D, GLY251A, GLY494A, HIS35D, ILE161D, ILE169D, ILE178D, ILE223A, ILE242A, ILE244A, ILE488A, ILE491A, LEU173D, LEU181D, LEU259A, LEU265A, LEU37D, LEU487A, LYS188D, LYS198D, LYS219A, LYS263A, LYS492A, MET165D, MET172D, MET189D, MET248A, MET256A, MET45D, PHE175D, PHE190D, PHE261A, PHE484A, PRO179D, PRO187D, PRO253A, PRO36D, SER192D, SER240D, SER264A, SER33D, SER489A, SER496A, THR166D, THR170D, THR174D, THR241D, TYR171D, TYR191D, TYR236D, VAL164D, VAL168D, VAL242D, VAL262A, VAL41D
• B-C: ALA162B, ALA238B, ALA249C, ALA250C, ALA252C, ALA34B, ARG177B, ARG194B, ARG243B, ARG258C, ASN237B, ASN243C, ASN255C, ASN260C, ASN485C, ASN490C, ASN493C, ASP176B, ASP182B, ASP197B, ASP245C, ASP247C, ASP40B, CYS239B, GLN193B, GLU163B, GLU180B, GLU257C, GLU267C, GLY167B, GLY246B, GLY246C, GLY247B, GLY251C, GLY494C, HIS35B, ILE161B, ILE169B, ILE178B, ILE223C, ILE242C, ILE244C, ILE488C, ILE491C, LEU173B, LEU181B, LEU259C, LEU265C, LEU37B, LEU487C, LYS188B, LYS198B, LYS219C, LYS263C, LYS492C, MET165B, MET172B, MET189B, MET248C, MET256C, MET45B, PHE175B, PHE190B, PHE261C, PHE484C, PRO179B, PRO187B, PRO253C, PRO36B, SER192B, SER240B, SER264C, SER33B, SER489C, THR166B, THR170B, THR174B, THR241B, TYR171B, TYR191B, TYR236B, VAL164B, VAL168B, VAL242B, VAL262C, VAL41B
• B-D: ALA207B, ALA207D, ALA219B, ARG194B, ARG194D, ARG201B, ARG201D, ARG202B, ARG202D, ARG220B, ARG220D, ARG243B, ARG243D, ASP197B, ASP197D, ASP206B, ASP206D, CYS199B, CYS199D, CYS224B, CYS224D, GLN193B, GLN193D, GLN209B, GLN209D, GLN253B, GLN253D, GLY208B, GLY208D, GLY218B, GLY218D, GLY222B, GLY222D, GLY246B, GLY246D, GLY247B, GLY247D, HIS196B, HIS196D, HIS204B, HIS204D, HIS35B, HIS35D, ILE195B, ILE195D, ILE252B, LYS198B, LYS198D, LYS221B, LYS221D, PHE205B, PHE205D, PHE250B, PHE250D, PRO203B, PRO203D, SER192B, SER192D, SER240B, SER240D, SER249B, SER249D, THR241B, THR241D, THR248B, THR248D, TRP244B, TRP244D, TYR200B, TYR200D, TYR223B, TYR223D, VAL242B, VAL242D
• C-D: ALA129D, ALA130D, ALA137D, ALA162D, ALA210C, ALA219D, ALA222C, ALA241C, ALA249C, ALA250C, ALA252C, ALA34D, ALA38D, ALA499C, ALA56D, ALA57D, ALA592C, ALA61D, ALA62D, ALA64D, ALA68C, ALA70C, ARG12D, ARG170C, ARG17C, ARG18C, ARG201D, ARG220D, ARG243D, ARG258C, ARG26C, ARG32C, ARG32D, ARG383C, ARG523C, ARG54C, ARG61C, ARG63C, ARG66C, ARG74C, ARG99D, ASN102C, ASN133D, ASN185C, ASN228C, ASN232C, ASN237D, ASN243C, ASN245D, ASN255C, ASN372C, ASN385C, ASN500C, ASN84D, ASN88D, ASP118C, ASP130C, ASP176C, ASP212C, ASP215D, ASP216D, ASP22C, ASP247C, ASP268D, ASP40D, ASP495C, ASP49D, ASP502C, ASP505C, ASP51D, ASP52D, ASP575C, ASP64C, ASP67C, ASP67D, ASP90D, CYS121D, CYS126D, CYS158D, CYS239D, CYS23D, CYS240C, CYS258D, CYS25D, CYS261D, CYS26D, CYS33C, CYS590C, CYS593C, CYS76C, CYS79C, CYS94D, GLN104D, GLN128D, GLN136D, GLN179C, GLN209D, GLN214C, GLN253D, GLN89D, GLU103D, GLU163D, GLU209C, GLU212D, GLU213D, GLU216C, GLU217D, GLU22D, GLU257C, GLU28C, GLU28D, GLU34C, GLU370C, GLU374C, GLU388C, GLU576C, GLU57C, GLU63D, GLU68D, GLU73C, GLU82D, GLY125D, GLY157D, GLY178C, GLY181C, GLY186C, GLY20D, GLY218D, GLY222D, GLY225C, GLY226C, GLY229D, GLY236C, GLY237C, GLY246C, GLY246D, GLY247D, GLY251C, GLY255D, GLY257D, GLY260D, GLY270D, GLY29C, GLY381C, GLY494C, GLY50C, GLY55C, GLY59D, GLY77C, GLY83D, GLY91D, GLY97D, GLY98D, HIS117C, HIS125C, HIS19D, HIS204D, HIS221C, HIS230C, HIS256D, HIS30C, HIS35D, HIS585C, HIS596C, HIS60D, ILE161D, ILE167C, ILE16D, ILE171C, ILE182C, ILE217C, ILE21C, ILE220C, ILE223C, ILE242C, ILE244C, ILE252D, ILE254C, ILE259D, ILE27C, ILE31D, ILE386C, ILE387C, ILE389C, ILE46D, ILE59C, ILE65D, ILE69D, ILE75C, ILE95D, ILE96D, LEU114C, LEU126C, LEU129C, LEU180C, LEU18D, LEU208C, LEU211C, LEU21D, LEU225D, LEU265C, LEU375C, LEU37D, LEU43D, LEU48D, LEU54D, LEU56C, LEU581C, LEU591C, LEU60C, LEU66D, LYS131D, LYS173C, LYS184C, LYS215C, LYS219C, LYS221D, LYS227C, LYS231D, LYS269D, LYS39D, LYS72D, MET234C, MET248C, MET31C, MET45D, MET52C, MET55D, MET92D, PHE101D, PHE174C, PHE183C, PHE213C, PHE224C, PHE250D, PHE261C, PHE266D, PHE272D, PHE30D, PHE71C, PRO100C, PRO100D, PRO11D, PRO132D, PRO134C, PRO134D, PRO14D, PRO159D, PRO160D, PRO203D, PRO229C, PRO231C, PRO239C, PRO23C, PRO251D, PRO253C, PRO36D, PRO371C, PRO574C, PRO577C, PRO65C, PRO86D, SER102D, SER120D, SER177C, SER249D, SER254D, SER262D, SER271D, SER274D, SER27D, SER29D, SER33D, SER382C, SER396C, SER44D, SER47D, SER496C, SER497C, SER58D, SER93D, THR135D, THR13D, THR205C, THR248D, THR24D, THR25C, THR369C, THR379C, THR384C, THR498C, THR49C, THR501C, THR51C, THR53D, THR595C, THR80C, TRP188C, TRP214D, TRP244D, TRP267D, TRP352C, TRP397C, TRP504C, TRP53C, TRP69C, TYR124C, TYR163C, TYR187C, TYR193C, TYR200D, TYR207C, TYR223D, TYR233C, TYR273D, TYR373C, TYR395C, TYR50D, TYR73D, VAL121C, VAL127D, VAL132C, VAL15D, VAL175C, VAL19C, VAL204C, VAL20C, VAL211D, VAL218C, VAL228D, VAL235C, VAL238C, VAL24C, VAL262C, VAL41D, VAL42D, VAL578C, VAL580C, VAL58C, VAL72C, VAL78C, VAL88C