1ULJ

biphenyl dioxygenase (bpha1a2) in complex with the substrate

• Total interactions analyzed: 15
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 139
  • Norm. En. per Res.: -6.4459
• Hub Node: A(5)

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	-129.2442	-97.2271	-497.823	-724.2942	166	21	11	20440	7	44	45
A-C	-119.5258	-189.9638	-506.21	-815.6996	134	21	3	18344	13	71	45
A-D	-15.4032	17.4381	-72.4377	-70.4028	42	3	0	2663	5	14	15
A-E	-154.4816	-205.3268	-536.178	-895.9863	139	23	3	18891	14	74	47
A-F	0.0	0.0	-0.003	-0.003	3	0	0	2	0	0	0
B-C	0.0	0.0	-0.003	-0.003	3	0	0	2	0	0	0
B-D	-64.3468	-92.0002	-402.603	-558.95	131	19	8	16185	7	51	41
B-E	-14.3988	14.9668	-74.8483	-74.2802	43	9	0	2765	6	14	15
B-F	-74.6174	-94.3787	-401.888	-570.8841	130	14	9	15906	7	50	40
C-D	-124.2955	-103.0574	-497.971	-725.324	159	23	10	20169	8	44	46
C-E	-121.1702	-197.6478	-527.411	-846.229	138	25	4	18883	13	72	45
C-F	-13.6637	13.547	-71.8761	-71.9928	43	3	0	2696	7	14	15
D-F	-86.4648	-93.7196	-417.826	-598.0104	133	18	10	16390	7	51	41
E-F	-112.5451	-96.1295	-513.813	-722.4875	159	17	11	20356	6	45	46

Interface residues

• A-B: ALA108A, ALA113A, ALA198A, ALA236A, ALA344A, ALA370A, ALA75B, ALA79B, ARG107A, ARG137B, ARG139B, ARG142B, ARG330A, ARG335A, ARG361A, ARG366A, ARG390A, ARG60B, ARG63B, ARG66B, ARG76B, ARG89B, ARG91B, ARG93B, ASN104B, ASN112A, ASN181B, ASN182B, ASN327A, ASN381A, ASN84B, ASP109A, ASP145B, ASP377A, ASP378A, ASP70A, ASP82B, ASP83B, ASP98B, CYS106A, CYS209A, GLN143B, GLN175B, GLN203A, GLN362A, GLN363A, GLN376A, GLN387A, GLN70B, GLN86B, GLU103B, GLU141B, GLU339A, GLU341A, GLU354A, GLU355A, GLU358A, GLU359A, GLU375A, GLU380A, GLU384A, GLU67B, GLU71B, GLU77B, GLY110A, GLY111A, GLY201A, GLY233A, GLY237A, GLY280A, GLY371A, GLY372A, GLY379A, GLY69A, GLY74B, GLY90B, HIS224A, HIS230A, HIS54B, HIS80B, ILE178B, ILE199A, ILE202A, ILE207A, ILE234A, ILE326A, ILE329A, ILE340A, ILE59B, ILE64B, ILE95B, LEU140B, LEU179B, LEU183B, LEU231A, LEU235A, LEU238A, LEU365A, LEU92B, LYS114A, LYS204A, LYS282A, LYS357A, LYS94B, MET356A, MET57B, MET65B, MET72A, MET87B, MET88B, PHE116A, PHE147B, PHE185B, PHE186B, PHE187B, PHE345A, PHE368A, PHE374A, PHE56B, PHE71A, PHE81B, PRO105B, PRO200A, PRO208A, PRO239A, PRO281A, PRO353A, PRO58B, SER100B, SER102B, SER107B, SER115A, SER176B, SER180B, SER184B, SER229A, SER232A, SER369A, SER73B, SER97B, THR177B, THR227A, THR228A, THR328A, THR346A, THR364A, THR367A, THR61B, THR62B, THR73A, THR96B, TRP101B, TRP205A, TRP343A, TRP382A, TYR360A, TYR55B, TYR75A, TYR78B, VAL206A, VAL342A, VAL348A, VAL373A, VAL383A, VAL388A, VAL99B
• A-C: ALA124A, ALA140A, ALA154A, ALA169A, ALA214C, ALA225C, ALA394C, ALA401C, ALA428C, ARG101A, ARG104A, ARG107A, ARG145A, ARG32C, ARG335A, ARG390C, ARG395C, ARG397C, ARG429C, ARG50A, ARG54A, ARG99A, ASN166A, ASN381C, ASN400C, ASN96A, ASP148A, ASP168A, ASP221C, ASP377C, ASP378C, ASP79A, CYS106A, CYS118A, CYS98A, GLN139A, GLN153A, GLN217C, GLN386C, GLN387C, GLN407C, GLN46A, GLN97A, GLU137A, GLU138A, GLU216C, GLU252C, GLU380C, GLU384C, GLU402C, GLU425C, GLU45A, GLU47A, GLU49A, GLU78A, GLY102A, GLY122A, GLY143A, GLY150A, GLY226C, GLY31C, GLY336A, GLY379C, GLY391C, GLY404C, GLY53A, GLY77A, HIS100A, HIS121A, HIS224C, HIS230C, HIS392C, ILE105A, ILE37C, ILE385C, LEU131A, LEU144A, LEU152A, LEU231C, LEU33C, LEU389C, LEU405C, LEU431C, LEU48A, LEU95A, LYS146A, LYS212C, LYS393C, MET103A, MET222C, MET403C, MET76A, PHE136A, PHE141A, PHE213C, PHE399C, PHE52A, PHE94A, PRO135A, PRO142A, PRO151A, PRO334A, PRO35C, PRO398C, PRO80A, SER119A, SER133A, SER220C, SER229C, SER396C, SER424C, THR117A, THR227C, THR228C, THR251C, THR30C, TRP123A, TRP149A, TRP167A, TRP382C, TYR120A, TYR223C, TYR268C, TYR38C, TYR421C, TYR423C, TYR432C, TYR44A, TYR75A, VAL134A, VAL383C, VAL388C, VAL422C, VAL81A
• A-D: ALA106D, ALA108A, ARG104A, ARG107A, ARG108D, ARG139D, ARG142D, ARG335A, ASN104D, ASN74A, ASP109A, CYS106A, CYS118A, GLU103D, GLU141D, GLU339A, GLU341A, GLU78A, GLY122A, HIS333A, ILE207A, ILE340A, LEU140D, LYS204A, MET103A, PRO105D, PRO208A, PRO334A, PRO80A, SER100D, SER102D, SER119A, THR117A, THR73A, TRP101D, TRP205A, TRP343A, TYR120A, TYR75A, VAL206A, VAL342A, VAL99D
• A-E: ALA124E, ALA140E, ALA154E, ALA169E, ALA214A, ALA225A, ALA394A, ALA401A, ALA428A, ARG101E, ARG104E, ARG107E, ARG145E, ARG32A, ARG335E, ARG390A, ARG395A, ARG397A, ARG429A, ARG50E, ARG54E, ARG99E, ASN166E, ASN338E, ASN381A, ASN400A, ASN96E, ASP148E, ASP168E, ASP221A, ASP377A, ASP378A, ASP40A, ASP79E, CYS106E, CYS118E, CYS98E, GLN139E, GLN153E, GLN217A, GLN386A, GLN387A, GLN407A, GLN46E, GLN97E, GLU137E, GLU138E, GLU216A, GLU339E, GLU380A, GLU384A, GLU402A, GLU41E, GLU425A, GLU45E, GLU47E, GLU49E, GLU78E, GLY102E, GLY122E, GLY143E, GLY150E, GLY226A, GLY31A, GLY336E, GLY391A, GLY404A, GLY53E, GLY77E, HIS100E, HIS121E, HIS224A, HIS230A, HIS392A, ILE105E, ILE37A, ILE385A, LEU131E, LEU144E, LEU152E, LEU231A, LEU33A, LEU389A, LEU405A, LEU431A, LEU48E, LEU95E, LYS146E, LYS212A, LYS393A, MET103E, MET222A, MET403A, MET76E, PHE136E, PHE141E, PHE213A, PHE218A, PHE399A, PHE52E, PHE94E, PRO135E, PRO142E, PRO151E, PRO250A, PRO334E, PRO337E, PRO35A, PRO398A, PRO80E, SER119E, SER133E, SER220A, SER229A, SER396A, SER424A, THR117E, THR227A, THR228A, THR251A, THR30A, TRP123E, TRP149E, TRP167E, TRP382A, TYR120E, TYR223A, TYR268A, TYR38A, TYR421A, TYR423A, TYR432A, TYR44E, TYR75E, VAL134E, VAL383A, VAL388A, VAL422A, VAL81E
• A-F: GLU380A, GLU384A, THR62F
• B-C: GLU380C, GLU384C, THR62B
• B-D: ALA106D, ALA148B, ALA162D, ALA16B, ALA34D, ALA69B, ARG108D, ARG110D, ARG12B, ARG137D, ARG139D, ARG142D, ARG151B, ARG151D, ARG40D, ARG41D, ARG60B, ARG63B, ARG66B, ARG93D, ASN104D, ASN115B, ASN115D, ASN138D, ASN38D, ASP145B, ASP174B, ASP19B, ASP19D, ASP39D, ASP98D, GLN143D, GLN175B, GLN23B, GLN23D, GLN28D, GLU103D, GLU141D, GLU150B, GLU161D, GLU25D, GLU27B, GLU27D, GLU33D, GLU44D, GLU67B, GLU71B, GLY149B, GLY163D, HIS111D, HIS24B, HIS24D, ILE113B, ILE113D, ILE118B, ILE134B, ILE134D, ILE146B, ILE146D, ILE171B, ILE173B, ILE178B, ILE26D, ILE64B, ILE95D, LEU140D, LEU144B, LEU144D, LEU172B, LEU179B, LEU22B, LEU22D, LEU36D, LEU48D, LEU92D, LYS14B, LYS152B, LYS35D, LYS94D, MET117B, MET65B, PHE11B, PHE133B, PHE147B, PHE147D, PHE164D, PHE29D, PHE42D, PRO105D, PRO15B, PRO17B, PRO20B, PRO20D, SER100D, SER107D, SER114B, SER114D, SER130B, SER131B, SER160D, SER176B, SER180B, SER21B, SER21D, SER97D, THR109D, THR13B, THR177B, THR61B, THR62B, THR68B, THR96D, TRP101D, TRP32D, TYR136B, TYR136D, TYR30D, TYR31B, TYR31D, TYR72B, VAL112B, VAL112D, VAL116B, VAL116D, VAL119B, VAL129B, VAL132B, VAL135B, VAL135D, VAL18B, VAL99D
• B-E: ALA106B, ALA108E, ARG104E, ARG107E, ARG108B, ARG139B, ARG142B, ARG335E, ASN104B, ASN74E, ASP109E, CYS106E, CYS118E, GLU103B, GLU141B, GLU339E, GLU341E, GLU78E, GLY122E, HIS333E, ILE207E, ILE340E, LEU140B, LYS204E, MET103E, PRO105B, PRO208E, PRO334E, PRO80E, SER100B, SER102B, SER119E, THR117E, THR73E, TRP101B, TRP205E, TRP343E, TYR120E, TYR75E, VAL206E, VAL342E, VAL81E, VAL99B
• B-F: ALA106B, ALA148F, ALA162B, ALA16F, ALA34B, ALA69F, ARG108B, ARG110B, ARG12F, ARG137B, ARG139B, ARG142B, ARG151B, ARG151F, ARG40B, ARG41B, ARG60F, ARG63F, ARG66F, ASN104B, ASN115B, ASN115F, ASN138B, ASN38B, ASP145F, ASP174F, ASP19B, ASP19F, ASP39B, ASP98B, GLN143B, GLN175F, GLN23B, GLN23F, GLN28B, GLU103B, GLU141B, GLU150F, GLU161B, GLU25B, GLU27B, GLU27F, GLU33B, GLU44B, GLU67F, GLU71F, GLY149F, GLY163B, HIS111B, HIS24B, HIS24F, ILE113B, ILE113F, ILE118F, ILE134B, ILE134F, ILE146B, ILE146F, ILE171F, ILE173F, ILE178F, ILE26B, ILE64F, ILE95B, LEU140B, LEU144B, LEU144F, LEU172F, LEU179F, LEU22B, LEU22F, LEU36B, LEU48B, LYS14F, LYS152F, LYS35B, LYS94B, MET117F, MET65F, PHE11F, PHE133B, PHE133F, PHE147B, PHE147F, PHE164B, PHE29B, PHE42B, PRO105B, PRO15F, PRO17F, PRO20B, PRO20F, SER100B, SER107B, SER114B, SER114F, SER130F, SER131F, SER160B, SER176F, SER180F, SER21B, SER21F, SER97B, THR109B, THR13F, THR177F, THR61F, THR62F, THR68F, THR96B, TRP101B, TRP32B, TYR136B, TYR136F, TYR30B, TYR31B, TYR31F, TYR72F, VAL112B, VAL112F, VAL116B, VAL116F, VAL119F, VAL129F, VAL132F, VAL135B, VAL135F, VAL18F, VAL99B
• C-D: ALA108C, ALA113C, ALA198C, ALA236C, ALA344C, ALA370C, ALA75D, ALA79D, ARG107C, ARG137D, ARG139D, ARG142D, ARG330C, ARG335C, ARG361C, ARG366C, ARG60D, ARG63D, ARG66D, ARG76D, ARG89D, ARG91D, ARG93D, ASN104D, ASN112C, ASN181D, ASN182D, ASN381C, ASN84D, ASP109C, ASP145D, ASP377C, ASP378C, ASP70C, ASP82D, ASP83D, ASP98D, CYS106C, CYS209C, GLN143D, GLN175D, GLN203C, GLN362C, GLN363C, GLN376C, GLN387C, GLN70D, GLN86D, GLU103D, GLU141D, GLU339C, GLU341C, GLU354C, GLU355C, GLU358C, GLU359C, GLU375C, GLU380C, GLU384C, GLU67D, GLU71D, GLU77D, GLY110C, GLY111C, GLY201C, GLY233C, GLY237C, GLY280C, GLY371C, GLY372C, GLY379C, GLY74D, GLY90D, HIS230C, HIS54D, HIS80D, ILE178D, ILE199C, ILE202C, ILE207C, ILE234C, ILE326C, ILE329C, ILE340C, ILE59D, ILE64D, ILE95D, LEU140D, LEU179D, LEU183D, LEU231C, LEU235C, LEU238C, LEU365C, LEU92D, LYS114C, LYS204C, LYS282C, LYS357C, LYS94D, MET356C, MET57D, MET65D, MET72C, MET87D, MET88D, PHE116C, PHE147D, PHE185D, PHE186D, PHE187D, PHE345C, PHE368C, PHE374C, PHE56D, PHE71C, PHE81D, PRO105D, PRO200C, PRO208C, PRO281C, PRO353C, PRO58D, SER100D, SER102D, SER107D, SER115C, SER176D, SER180D, SER184D, SER229C, SER232C, SER369C, SER73D, SER97D, THR177D, THR228C, THR328C, THR346C, THR364C, THR367C, THR61D, THR62D, THR73C, THR96D, TRP101D, TRP205C, TRP343C, TRP382C, TYR360C, TYR55D, TYR75C, TYR78D, VAL206C, VAL342C, VAL373C, VAL383C, VAL388C, VAL99D
• C-E: ALA124C, ALA140C, ALA154C, ALA169C, ALA214E, ALA225E, ALA394E, ALA401E, ALA428E, ARG101C, ARG104C, ARG107C, ARG145C, ARG32E, ARG335C, ARG390E, ARG395E, ARG397E, ARG429E, ARG50C, ARG54C, ARG99C, ASN166C, ASN338C, ASN381E, ASN400E, ASN96C, ASP148C, ASP168C, ASP221E, ASP377E, ASP378E, ASP79C, CYS106C, CYS118C, CYS98C, GLN139C, GLN153C, GLN217E, GLN386E, GLN387E, GLN407E, GLN46C, GLN97C, GLU137C, GLU138C, GLU216E, GLU339C, GLU380E, GLU384E, GLU402E, GLU41C, GLU425E, GLU45C, GLU47C, GLU49C, GLU78C, GLY102C, GLY122C, GLY143C, GLY150C, GLY226E, GLY31E, GLY336C, GLY391E, GLY404E, GLY406E, GLY53C, GLY77C, HIS100C, HIS121C, HIS224E, HIS230E, HIS392E, ILE105C, ILE37E, ILE385E, LEU131C, LEU144C, LEU152C, LEU231E, LEU33E, LEU389E, LEU405E, LEU48C, LEU95C, LYS146C, LYS212E, LYS393E, MET103C, MET222E, MET403E, MET76C, PHE136C, PHE141C, PHE213E, PHE218E, PHE399E, PHE52C, PHE94C, PRO135C, PRO142C, PRO151C, PRO250E, PRO334C, PRO337C, PRO35E, PRO398E, PRO80C, SER119C, SER133C, SER220E, SER229E, SER396E, SER424E, THR117C, THR227E, THR228E, THR251E, THR30E, TRP123C, TRP149C, TRP167C, TRP382E, TYR120C, TYR223E, TYR268E, TYR38E, TYR421E, TYR423E, TYR432E, TYR44C, TYR75C, VAL134C, VAL383E, VAL388E, VAL422E, VAL81C
• C-F: ALA106F, ALA108C, ARG104C, ARG107C, ARG108F, ARG139F, ARG142F, ARG335C, ASN104F, ASN74C, ASP109C, CYS106C, CYS118C, GLU103F, GLU141F, GLU339C, GLU341C, GLU78C, GLY122C, HIS333C, ILE207C, ILE340C, LEU140F, LYS204C, MET103C, PRO105F, PRO208C, PRO334C, PRO80C, SER100F, SER102F, SER119C, THR117C, THR73C, TRP101F, TRP205C, TRP343C, TYR120C, TYR75C, VAL206C, VAL342C, VAL81C, VAL99F
• D-F: ALA106F, ALA10D, ALA148D, ALA148F, ALA162F, ALA16D, ALA34F, ALA69D, ARG108F, ARG110F, ARG12D, ARG137F, ARG139F, ARG142F, ARG151D, ARG151F, ARG40F, ARG41F, ARG60D, ARG63D, ARG66D, ASN104F, ASN115D, ASN115F, ASN138F, ASN38F, ASP145D, ASP174D, ASP19D, ASP19F, ASP39F, ASP98F, GLN143F, GLN175D, GLN23D, GLN23F, GLN28F, GLU103F, GLU141F, GLU150D, GLU161F, GLU25F, GLU27D, GLU27F, GLU33F, GLU44F, GLU67D, GLU71D, GLY149D, GLY163F, HIS111F, HIS24D, HIS24F, ILE113D, ILE113F, ILE118D, ILE134D, ILE134F, ILE146D, ILE146F, ILE171D, ILE173D, ILE178D, ILE26F, ILE64D, ILE95F, LEU140F, LEU144D, LEU144F, LEU172D, LEU179D, LEU22D, LEU22F, LEU36F, LEU48F, LYS14D, LYS152D, LYS35F, LYS94F, MET117D, MET65D, PHE11D, PHE133D, PHE133F, PHE147D, PHE147F, PHE164F, PHE187D, PHE29F, PHE42F, PRO105F, PRO15D, PRO17D, PRO20D, PRO20F, SER100F, SER107F, SER114D, SER114F, SER130D, SER131D, SER160F, SER176D, SER180D, SER21F, SER97F, THR109F, THR13D, THR177D, THR61D, THR62D, THR68D, THR96F, TRP101F, TRP32F, TYR136D, TYR136F, TYR30F, TYR31D, TYR31F, TYR72D, VAL112D, VAL112F, VAL116D, VAL116F, VAL119D, VAL129D, VAL132D, VAL132F, VAL135D, VAL135F, VAL18D, VAL99F
• E-F: ALA108E, ALA113E, ALA198E, ALA236E, ALA344E, ALA370E, ALA75F, ALA79F, ARG107E, ARG137F, ARG139F, ARG142F, ARG330E, ARG335E, ARG361E, ARG366E, ARG390E, ARG60F, ARG63F, ARG66F, ARG76F, ARG89F, ARG91F, ARG93F, ASN104F, ASN112E, ASN181F, ASN182F, ASN381E, ASN84F, ASP109E, ASP145F, ASP377E, ASP378E, ASP70E, ASP82F, ASP83F, ASP98F, CYS106E, CYS209E, GLN143F, GLN175F, GLN203E, GLN362E, GLN363E, GLN376E, GLN387E, GLN70F, GLN86F, GLU103F, GLU141F, GLU339E, GLU341E, GLU354E, GLU355E, GLU358E, GLU359E, GLU375E, GLU380E, GLU384E, GLU67F, GLU71F, GLU77F, GLY110E, GLY111E, GLY201E, GLY233E, GLY237E, GLY371E, GLY372E, GLY379E, GLY74F, GLY90F, HIS224E, HIS230E, HIS54F, HIS80F, ILE178F, ILE199E, ILE202E, ILE207E, ILE234E, ILE329E, ILE340E, ILE59F, ILE64F, ILE95F, LEU140F, LEU179F, LEU183F, LEU231E, LEU235E, LEU238E, LEU365E, LEU92F, LYS114E, LYS204E, LYS282E, LYS357E, LYS94F, MET356E, MET57F, MET65F, MET72E, MET87F, MET88F, PHE116E, PHE147F, PHE185F, PHE186F, PHE187F, PHE345E, PHE368E, PHE374E, PHE56F, PHE71E, PHE81F, PRO105F, PRO200E, PRO208E, PRO281E, PRO58F, SER100F, SER102F, SER107F, SER115E, SER176F, SER180F, SER184F, SER229E, SER232E, SER369E, SER73F, SER97F, THR177F, THR227E, THR228E, THR328E, THR346E, THR364E, THR367E, THR61F, THR62F, THR73E, THR96F, TRP101F, TRP205E, TRP343E, TRP382E, TYR360E, TYR55F, TYR75E, TYR78F, VAL206E, VAL342E, VAL373E, VAL383E, VAL388E, VAL99F