3LSK

pyranose 2-oxidase t169s acetate complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 258
  • Norm. En. per Res.: -3.5492
• 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	-182.503	-65.1508	-698.115	-945.7688	269	25	11	28899	4	63	48
A-C	-19.6852	23.8488	-271.128	-266.9644	113	5	4	10878	0	4	8
A-D	0.0	-6.4104	-103.462	-109.8724	74	0	2	4798	0	16	13
B-C	0.0	-5.9524	-101.069	-107.0213	72	0	2	4796	0	16	13
B-D	-16.9585	27.5479	-267.052	-256.4626	115	4	3	10917	0	4	8
C-D	-178.9521	-65.1085	-671.623	-915.6837	258	19	10	27817	4	65	46

Interface residues

• A-B: ALA133A, ALA133B, ALA156A, ALA156B, ALA280A, ALA280B, ALA282A, ALA282B, ALA494A, ALA494B, ALA527A, ALA527B, ALA88B, ARG139A, ARG139B, ARG159A, ARG159B, ARG246A, ARG246B, ARG451B, ARG466A, ARG466B, ASN105A, ASN105B, ASN119A, ASN119B, ASN140A, ASN140B, ASN143A, ASN264A, ASN264B, ASN496A, ASN496B, ASN92A, ASN92B, ASN99A, ASN99B, ASP101A, ASP101B, ASP124A, ASP124B, ASP302A, ASP302B, ASP374A, ASP374B, ASP422A, ASP422B, ASP464A, ASP464B, ASP493A, ASP493B, ASP81A, ASP81B, GLN108A, GLN108B, GLN110A, GLN110B, GLN132A, GLN132B, GLN263A, GLN263B, GLN418B, GLN420B, GLN460A, GLN460B, GLN461A, GLN461B, GLN97A, GLN97B, GLU371A, GLU371B, GLU421A, GLU421B, GLU429A, GLU429B, GLU79A, GLU79B, GLU95A, GLU95B, GLY109A, GLY109B, GLY141A, GLY141B, GLY306A, GLY530A, GLY530B, GLY531A, GLY531B, GLY535A, GLY535B, GLY78A, GLY78B, GLY83A, GLY83B, GLY87A, GLY87B, HIS301A, HIS301B, HIS324A, HIS324B, HIS415B, HIS419A, HIS419B, ILE100A, ILE100B, ILE107A, ILE107B, ILE304A, ILE304B, ILE373A, ILE373B, ILE463A, ILE463B, ILE468A, ILE468B, ILE491A, ILE491B, ILE529A, ILE529B, ILE77A, ILE77B, ILE80A, ILE80B, ILE86A, ILE86B, LEU111A, LEU111B, LEU121A, LEU121B, LEU126A, LEU126B, LEU277A, LEU277B, LEU303A, LEU303B, LEU372A, LEU372B, LEU424A, LEU424B, LEU467A, LEU467B, LEU533A, LEU533B, LEU537A, LEU537B, LEU84A, LEU84B, LYS102A, LYS102B, LYS377A, LYS377B, LYS490A, LYS490B, LYS528A, LYS528B, LYS85A, LYS85B, LYS90A, LYS90B, LYS98A, LYS98B, MET112A, MET112B, MET368A, MET368B, MET497A, MET497B, PHE103A, PHE103B, PHE136A, PHE136B, PHE137A, PHE137B, PHE250A, PHE250B, PHE428A, PHE428B, PHE532A, PHE532B, PRO117A, PRO117B, PRO128A, PRO128B, PRO144A, PRO144B, PRO279A, PRO279B, PRO423A, PRO423B, PRO425A, PRO425B, PRO534A, PRO534B, SER113A, SER113B, SER127A, SER127B, SER130A, SER130B, SER134A, SER134B, SER142A, SER142B, SER247A, SER247B, SER305A, SER369A, SER369B, SER455A, SER455B, SER462A, SER462B, SER465A, SER465B, SER82A, SER82B, THR120A, THR120B, THR125A, THR125B, THR129A, THR129B, THR135A, THR135B, THR158A, THR158B, THR249A, THR249B, THR366A, THR366B, THR370A, THR370B, THR492A, THR492B, THR93A, THR93B, TRP131A, TRP131B, TYR495A, TYR495B, TYR96A, TYR96B, VAL104A, VAL104B, VAL106A, VAL106B, VAL116A, VAL116B, VAL118A, VAL118B, VAL122A, VAL122B, VAL123A, VAL123B, VAL138A, VAL138B, VAL157A, VAL157B, VAL160A, VAL160B, VAL161A, VAL161B, VAL281A, VAL281B, VAL367A, VAL367B, VAL459A, VAL94A, VAL94B
• A-C: ALA133A, ALA133C, ALA508A, ALA508C, ALA515A, ALA515C, ARG139A, ARG139C, ARG150A, ARG150C, ARG505A, ARG505C, ARG510C, ASN119A, ASN119C, ASN151A, ASN151C, ASP124A, ASP124C, ASP147A, ASP147C, ASP517A, ASP517C, GLN132A, GLN132C, GLN539A, GLN539C, GLU514A, GLU514C, GLU516A, GLU516C, GLU542A, GLU542C, GLY154A, GLY154C, GLY475A, GLY475C, GLY509A, GLY509C, LEU121A, LEU121C, LEU126A, LEU126C, LEU149A, LEU149C, LEU152A, LEU152C, LEU361A, LEU361C, LEU545A, LEU545C, LYS513A, LYS513C, MET518A, MET518C, MET519A, MET519C, MET541A, MET541C, PHE136A, PHE136C, PHE137A, PHE137C, PHE504A, PHE504C, PHE506A, PHE506C, PHE540A, PHE540C, PRO117A, PRO117C, PRO128A, PRO128C, PRO148A, PRO148C, PRO507A, PRO507C, PRO543A, PRO543C, SER127A, SER127C, SER130A, SER130C, SER134A, SER134C, SER153A, SER153C, SER360A, SER360C, SER512A, SER512C, THR120A, THR120C, THR125A, THR125C, THR129A, THR129C, THR135A, THR135C, THR477C, THR511A, THR511C, THR520A, TRP131A, TRP131C, VAL118A, VAL118C, VAL122A, VAL122C, VAL123A, VAL123C, VAL362A, VAL362C
• A-D: ALA508A, ALA508D, ALA527A, ALA527D, ARG505A, ASP517A, ASP517D, ASP521A, ASP521D, CYS364A, CYS364D, CYS523A, CYS523D, GLN539A, GLN539D, GLU371A, GLU371D, GLU516A, GLU516D, GLY509A, GLY509D, GLY530A, GLY530D, GLY531A, GLY531D, GLY535A, GLY535D, ILE529A, ILE529D, LEU149A, LEU149D, LEU537A, LEU537D, LYS225D, LYS513A, LYS513D, LYS528A, LYS528D, MET519A, MET519D, MET522A, MET522D, MET525A, MET525D, PHE363A, PHE363D, PHE532A, PHE532D, PHE540A, PHE540D, PRO534A, PRO534D, PRO538A, PRO538D, SER369A, SER369D, SER462A, SER462D, SER512A, SER512D, SER526A, SER526D, SER536A, SER536D, THR366A, THR366D, THR370A, THR370D, THR520A, THR520D, VAL362A, VAL362D, VAL524A, VAL524D
• B-C: ALA508B, ALA508C, ALA527B, ALA527C, ARG505B, ASP517B, ASP517C, ASP521B, ASP521C, CYS364B, CYS364C, CYS523B, CYS523C, GLN539B, GLN539C, GLU371B, GLU371C, GLU516B, GLU516C, GLY509B, GLY509C, GLY530B, GLY530C, GLY531B, GLY531C, GLY535B, GLY535C, ILE529B, ILE529C, LEU149B, LEU533B, LEU537B, LEU537C, LYS513B, LYS513C, LYS528B, LYS528C, MET519B, MET519C, MET522B, MET522C, MET525B, MET525C, PHE363B, PHE363C, PHE532B, PHE532C, PHE540B, PHE540C, PRO534B, PRO534C, PRO538B, PRO538C, SER369B, SER369C, SER462C, SER512B, SER512C, SER526B, SER526C, SER536B, SER536C, THR366B, THR366C, THR370B, THR370C, THR520B, THR520C, VAL362B, VAL362C, VAL524B, VAL524C
• B-D: ALA133B, ALA133D, ALA508B, ALA508D, ALA515B, ALA515D, ARG139B, ARG139D, ARG150B, ARG150D, ARG505B, ARG505D, ARG510B, ARG510D, ASN119B, ASN119D, ASN151B, ASN151D, ASP124B, ASP124D, ASP147B, ASP147D, ASP517B, ASP517D, GLN132B, GLN132D, GLN539B, GLN539D, GLU514B, GLU514D, GLU516B, GLU516D, GLU542B, GLU542D, GLY154B, GLY154D, GLY475B, GLY475D, GLY509B, GLY509D, LEU121B, LEU121D, LEU126B, LEU126D, LEU149B, LEU149D, LEU152B, LEU152D, LEU361B, LEU361D, LEU545B, LEU545D, LYS513B, LYS513D, MET518B, MET518D, MET519B, MET519D, MET541B, MET541D, PHE136B, PHE136D, PHE137B, PHE137D, PHE504B, PHE504D, PHE506B, PHE506D, PHE540B, PHE540D, PRO117B, PRO117D, PRO128B, PRO128D, PRO148B, PRO148D, PRO507B, PRO507D, PRO543B, PRO543D, SER127B, SER127D, SER130B, SER130D, SER134B, SER134D, SER153B, SER153D, SER360B, SER360D, SER512B, SER512D, THR120B, THR120D, THR125B, THR125D, THR129B, THR129D, THR135B, THR135D, THR477B, THR477D, THR511B, THR511D, THR520B, TRP131B, TRP131D, VAL118B, VAL118D, VAL122B, VAL122D, VAL123B, VAL123D, VAL362B, VAL362D
• C-D: ALA133C, ALA133D, ALA156C, ALA156D, ALA280C, ALA280D, ALA282C, ALA282D, ALA494C, ALA494D, ALA527C, ALA527D, ARG139C, ARG139D, ARG159C, ARG159D, ARG246C, ARG246D, ARG451C, ARG466C, ARG466D, ASN105C, ASN105D, ASN119C, ASN119D, ASN140C, ASN140D, ASN264C, ASN264D, ASN496C, ASN496D, ASN92C, ASN92D, ASN99C, ASN99D, ASP101C, ASP101D, ASP124C, ASP124D, ASP302C, ASP302D, ASP374C, ASP374D, ASP422C, ASP422D, ASP464C, ASP464D, ASP493C, ASP493D, ASP81C, ASP81D, GLN108C, GLN108D, GLN110C, GLN110D, GLN132C, GLN132D, GLN263C, GLN263D, GLN418C, GLN420C, GLN460C, GLN460D, GLN461C, GLN461D, GLN97C, GLN97D, GLU371C, GLU371D, GLU421C, GLU421D, GLU429C, GLU429D, GLU79C, GLU79D, GLU95C, GLU95D, GLY109C, GLY109D, GLY141C, GLY141D, GLY530C, GLY530D, GLY531C, GLY531D, GLY535C, GLY535D, GLY78C, GLY78D, GLY83C, GLY83D, GLY87C, GLY87D, HIS301C, HIS301D, HIS324D, HIS415C, HIS415D, HIS419C, HIS419D, ILE100C, ILE100D, ILE107C, ILE107D, ILE304C, ILE304D, ILE373C, ILE373D, ILE463C, ILE463D, ILE468C, ILE468D, ILE491C, ILE491D, ILE529C, ILE529D, ILE77C, ILE77D, ILE80C, ILE80D, ILE86C, ILE86D, LEU111C, LEU111D, LEU121C, LEU121D, LEU126C, LEU126D, LEU277C, LEU277D, LEU303C, LEU303D, LEU372C, LEU372D, LEU424C, LEU424D, LEU467C, LEU467D, LEU533C, LEU533D, LEU537C, LEU537D, LEU84C, LEU84D, LYS102C, LYS102D, LYS377C, LYS377D, LYS490C, LYS490D, LYS528D, LYS85C, LYS85D, LYS90C, LYS90D, LYS98C, LYS98D, MET112C, MET112D, MET368C, MET368D, PHE103C, PHE103D, PHE136C, PHE136D, PHE137C, PHE137D, PHE250C, PHE250D, PHE428C, PHE428D, PHE532C, PHE532D, PRO117C, PRO117D, PRO128C, PRO128D, PRO144C, PRO144D, PRO279C, PRO279D, PRO423C, PRO423D, PRO425C, PRO425D, PRO534C, PRO534D, SER113C, SER113D, SER127C, SER127D, SER130C, SER130D, SER134C, SER134D, SER142C, SER142D, SER247C, SER247D, SER369C, SER369D, SER455C, SER455D, SER462C, SER462D, SER465C, SER465D, SER82C, SER82D, THR120C, THR120D, THR125C, THR125D, THR129C, THR129D, THR135C, THR135D, THR158C, THR158D, THR366C, THR366D, THR370C, THR370D, THR492C, THR492D, THR93C, THR93D, TRP131C, TRP131D, TYR495C, TYR495D, TYR96C, TYR96D, VAL104C, VAL104D, VAL106C, VAL106D, VAL116C, VAL116D, VAL118C, VAL118D, VAL122C, VAL122D, VAL123C, VAL123D, VAL138C, VAL138D, VAL157C, VAL157D, VAL160C, VAL160D, VAL281C, VAL367C, VAL367D, VAL459C, VAL459D, VAL94C, VAL94D