3GKQ

terminal oxygenase of carbazole 1,9a-dioxygenase from novosphingobium sp. ka1

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 121
  • Norm. En. per Res.: -5.9571
• 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	-81.5532	-188.7511	-428.848	-699.1523	122	29	12	16601	12	54	41
A-C	-98.5484	-171.8177	-424.545	-694.9111	123	15	13	16493	11	54	42
A-F	-25.0599	25.3321	-106.256	-105.9839	67	6	1	4728	0	16	31
B-C	-81.7023	-188.8195	-426.446	-696.9678	122	20	13	16545	12	53	42
B-E	-16.8767	26.0752	-104.099	-94.9004	66	1	1	4678	0	16	29
C-D	-26.7028	24.5483	-105.455	-107.6095	66	5	1	4748	0	16	30
D-E	-88.3473	-175.1252	-417.232	-680.7046	121	18	13	16283	11	52	39
D-F	-119.6355	-179.603	-421.569	-720.8075	121	22	13	16300	11	53	39
E-F	-72.2999	-175.1628	-414.669	-662.1318	121	16	13	16385	12	51	38

Interface residues

• A-B: ALA123B, ALA184A, ALA208A, ALA242A, ALA249A, ALA337A, ALA89B, ARG101B, ARG121B, ARG14A, ARG175A, ARG338A, ARG339A, ARG349A, ARG367A, ARG380B, ARG71B, ARG75B, ASN104B, ASN113B, ASN180A, ASP109B, ASP183A, ASP333A, ASP334A, ASP347A, ASP360A, ASP381B, ASP81B, CYS72B, CYS85B, CYS93B, GLN118B, GLN247A, GLN251A, GLU179A, GLU241A, GLU245A, GLU342A, GLU353A, GLU354A, GLU358A, GLU84B, GLY177A, GLY181A, GLY185A, GLY206A, GLY246A, GLY350A, GLY76B, GLY97B, HIS122B, HIS186A, HIS190A, HIS74B, HIS96B, ILE110B, ILE119B, ILE189A, ILE239A, ILE244A, ILE250A, ILE335A, ILE363A, ILE364A, ILE91B, LEU107B, LEU111B, LEU205A, LEU215A, LEU232A, LEU336A, LEU356A, LEU73B, LEU79B, LYS106B, LYS191A, LYS55B, LYS82B, LYS88B, MET176A, MET341A, PHE182A, PHE188A, PHE207A, PHE240A, PHE344A, PHE357A, PRO114B, PRO204A, PRO209A, PRO238A, PRO248A, PRO343A, SER116B, SER192A, SER340A, SER359A, SER80B, SER87B, SER92B, THR112B, THR115B, THR243A, THR78B, THR90B, THR99B, TRP351A, TRP94B, TRP98B, TYR100B, TYR21A, TYR345A, TYR86B, TYR95B, VAL108B, VAL117B, VAL187A, VAL237A, VAL355A, VAL77B, VAL83B
• A-C: ALA123A, ALA184C, ALA208C, ALA242C, ALA249C, ALA337C, ALA89A, ARG101A, ARG121A, ARG14C, ARG175C, ARG338C, ARG339C, ARG349C, ARG367C, ARG380A, ARG71A, ARG75A, ASN104A, ASN113A, ASN180C, ASP109A, ASP183C, ASP333C, ASP334C, ASP347C, ASP360C, ASP381A, ASP81A, CYS72A, CYS85A, CYS93A, GLN118A, GLN247C, GLN251C, GLU179C, GLU241C, GLU245C, GLU342C, GLU353C, GLU354C, GLU358C, GLU84A, GLY177C, GLY181C, GLY185C, GLY206C, GLY210C, GLY246C, GLY350C, GLY76A, GLY97A, HIS122A, HIS186C, HIS190C, HIS74A, HIS96A, ILE110A, ILE119A, ILE189C, ILE239C, ILE244C, ILE250C, ILE335C, ILE363C, ILE364C, ILE91A, LEU107A, LEU111A, LEU205C, LEU215C, LEU232C, LEU336C, LEU356C, LEU73A, LEU79A, LYS106A, LYS191C, LYS55A, LYS82A, LYS88A, MET176C, MET341C, PHE188C, PHE207C, PHE240C, PHE344C, PHE357C, PRO114A, PRO204C, PRO209C, PRO238C, PRO248C, PRO343C, SER116A, SER192C, SER236C, SER340C, SER359C, SER80A, SER87A, SER92A, THR112A, THR115A, THR243C, THR78A, THR90A, THR99A, TRP351C, TRP94A, TRP98A, TYR100A, TYR21C, TYR345C, TYR86A, TYR95A, VAL108A, VAL117A, VAL187C, VAL237C, VAL355C, VAL77A, VAL83A
• A-F: ALA17A, ALA17F, ALA19A, ALA19F, ALA24A, ALA24F, ALA370A, ALA370F, ALA8A, ALA8F, ARG13A, ARG13F, ARG16A, ARG16F, ARG29A, ARG29F, ARG368A, ARG368F, ARG375A, ARG375F, ASN30A, ASN30F, ASN374A, ASN374F, ASP142A, ASP142F, ASP23A, ASP23F, ASP381A, GLN143A, GLN143F, GLN372A, GLN372F, GLN378A, GLN378F, GLU12A, GLU12F, GLY141A, GLY141F, GLY376A, GLY376F, GLY9A, GLY9F, HIS31A, HIS31F, ILE10A, ILE10F, ILE377A, ILE377F, LEU267A, LEU267F, LEU369A, LEU369F, PHE28A, PHE28F, PRO20A, PRO20F, SER371A, SER371F, THR379A, THR379F, TRP18A, TRP18F, TYR21A, TYR21F, TYR373A, TYR373F
• B-C: ALA123C, ALA184B, ALA208B, ALA242B, ALA249B, ALA337B, ALA89C, ARG101C, ARG121C, ARG14B, ARG175B, ARG338B, ARG339B, ARG349B, ARG367B, ARG380C, ARG71C, ARG75C, ASN104C, ASN113C, ASN180B, ASP109C, ASP183B, ASP333B, ASP334B, ASP347B, ASP360B, ASP381C, ASP70C, ASP81C, CYS72C, CYS85C, CYS93C, GLN118C, GLN247B, GLN251B, GLU179B, GLU241B, GLU245B, GLU342B, GLU353B, GLU354B, GLU358B, GLU84C, GLY177B, GLY181B, GLY185B, GLY206B, GLY246B, GLY350B, GLY76C, GLY97C, HIS122C, HIS186B, HIS190B, HIS74C, HIS96C, ILE110C, ILE119C, ILE189B, ILE239B, ILE244B, ILE250B, ILE335B, ILE363B, ILE364B, ILE91C, LEU107C, LEU111C, LEU205B, LEU215B, LEU232B, LEU336B, LEU356B, LEU73C, LEU79C, LYS106C, LYS191B, LYS55C, LYS82C, LYS88C, MET176B, MET341B, PHE188B, PHE207B, PHE240B, PHE344B, PHE357B, PRO114C, PRO204B, PRO209B, PRO238B, PRO248B, PRO343B, SER116C, SER192B, SER340B, SER359B, SER80C, SER87C, SER92C, THR112C, THR115C, THR243B, THR78C, THR90C, THR99C, TRP351B, TRP94C, TRP98C, TYR100C, TYR21B, TYR345B, TYR86C, TYR95C, VAL108C, VAL117C, VAL187B, VAL237B, VAL355B, VAL77C, VAL83C
• B-E: ALA17B, ALA17E, ALA19B, ALA19E, ALA24B, ALA24E, ALA370B, ALA370E, ALA8B, ALA8E, ARG13B, ARG13E, ARG16B, ARG16E, ARG29B, ARG29E, ARG368B, ARG368E, ARG375B, ARG375E, ASN30B, ASN30E, ASN374B, ASN374E, ASP142B, ASP142E, ASP23B, ASP23E, GLN143B, GLN143E, GLN372B, GLN372E, GLN378B, GLN378E, GLU12B, GLU12E, GLY141B, GLY141E, GLY376B, GLY376E, GLY9B, GLY9E, HIS31B, HIS31E, ILE10B, ILE10E, ILE377B, ILE377E, LEU267B, LEU267E, LEU369B, LEU369E, PHE28B, PHE28E, PRO20B, PRO20E, SER371B, SER371E, THR379B, THR379E, TRP18B, TRP18E, TYR21B, TYR21E, TYR373B, TYR373E
• C-D: ALA17C, ALA17D, ALA19C, ALA19D, ALA24C, ALA24D, ALA370C, ALA370D, ALA8C, ALA8D, ARG13C, ARG13D, ARG16C, ARG16D, ARG29C, ARG29D, ARG368C, ARG368D, ARG375C, ARG375D, ASN30C, ASN30D, ASN374C, ASN374D, ASP142C, ASP142D, ASP23C, ASP23D, GLN143C, GLN143D, GLN372C, GLN372D, GLN378C, GLN378D, GLU12C, GLU12D, GLY141C, GLY141D, GLY376C, GLY376D, GLY9C, GLY9D, HIS31C, HIS31D, ILE10C, ILE10D, ILE377C, ILE377D, LEU267C, LEU267D, LEU369C, LEU369D, PHE28C, PHE28D, PRO20C, PRO20D, SER371C, SER371D, THR379C, THR379D, TRP18C, TRP18D, TYR21C, TYR21D, TYR373C, TYR373D
• D-E: ALA123E, ALA184D, ALA208D, ALA242D, ALA249D, ALA337D, ALA89E, ARG101E, ARG121E, ARG14D, ARG175D, ARG338D, ARG339D, ARG349D, ARG367D, ARG71E, ARG75E, ASN104E, ASN113E, ASN180D, ASP109E, ASP183D, ASP333D, ASP334D, ASP347D, ASP360D, ASP81E, CYS72E, CYS85E, CYS93E, GLN118E, GLN247D, GLN251D, GLU179D, GLU241D, GLU245D, GLU342D, GLU353D, GLU354D, GLU358D, GLU84E, GLY181D, GLY185D, GLY206D, GLY210D, GLY246D, GLY350D, GLY76E, GLY97E, HIS122E, HIS186D, HIS190D, HIS74E, HIS96E, ILE110E, ILE119E, ILE189D, ILE239D, ILE244D, ILE250D, ILE335D, ILE363D, ILE364D, ILE91E, LEU107E, LEU111E, LEU205D, LEU215D, LEU232D, LEU336D, LEU356D, LEU73E, LEU79E, LYS106E, LYS191D, LYS55E, LYS82E, LYS88E, MET176D, MET341D, PHE182D, PHE188D, PHE207D, PHE240D, PHE344D, PHE357D, PRO114E, PRO204D, PRO209D, PRO238D, PRO248D, PRO343D, SER116E, SER192D, SER236D, SER340D, SER359D, SER80E, SER87E, SER92E, THR112E, THR115E, THR243D, THR78E, THR90E, THR99E, TRP351D, TRP94E, TRP98E, TYR100E, TYR21D, TYR345D, TYR86E, TYR95E, VAL108E, VAL117E, VAL187D, VAL237D, VAL355D, VAL77E, VAL83E
• D-F: ALA123D, ALA184F, ALA208F, ALA242F, ALA249F, ALA337F, ALA89D, ARG101D, ARG121D, ARG14F, ARG175F, ARG338F, ARG339F, ARG349F, ARG367F, ARG71D, ARG75D, ASN104D, ASN113D, ASN180F, ASP109D, ASP183F, ASP333F, ASP334F, ASP347F, ASP360F, ASP81D, CYS72D, CYS85D, CYS93D, GLN118D, GLN247F, GLN251F, GLU179F, GLU241F, GLU245F, GLU342F, GLU353F, GLU354F, GLU358F, GLU84D, GLY181F, GLY185F, GLY206F, GLY210F, GLY246F, GLY350F, GLY76D, GLY97D, HIS122D, HIS186F, HIS190F, HIS74D, HIS96D, ILE110D, ILE119D, ILE189F, ILE239F, ILE244F, ILE250F, ILE335F, ILE363F, ILE364F, ILE91D, LEU107D, LEU111D, LEU205F, LEU215F, LEU232F, LEU336F, LEU356F, LEU73D, LEU79D, LYS106D, LYS191F, LYS55D, LYS82D, LYS88D, MET176F, MET341F, PHE182F, PHE188F, PHE207F, PHE240F, PHE344F, PHE357F, PRO114D, PRO204F, PRO209F, PRO238F, PRO248F, PRO343F, SER116D, SER192F, SER236F, SER340F, SER359F, SER80D, SER87D, SER92D, THR112D, THR115D, THR243F, THR78D, THR90D, THR99D, TRP351F, TRP94D, TRP98D, TYR100D, TYR21F, TYR345F, TYR86D, TYR95D, VAL108D, VAL117D, VAL187F, VAL237F, VAL355F, VAL77D, VAL83D
• E-F: ALA123F, ALA184E, ALA208E, ALA242E, ALA249E, ALA337E, ALA89F, ARG101F, ARG121F, ARG14E, ARG175E, ARG338E, ARG339E, ARG349E, ARG367E, ARG71F, ARG75F, ASN104F, ASN113F, ASN180E, ASP109F, ASP183E, ASP333E, ASP334E, ASP347E, ASP360E, ASP81F, CYS72F, CYS85F, CYS93F, GLN118F, GLN247E, GLN251E, GLU179E, GLU241E, GLU245E, GLU342E, GLU353E, GLU354E, GLU358E, GLU84F, GLY181E, GLY185E, GLY206E, GLY210E, GLY246E, GLY350E, GLY76F, GLY97F, HIS122F, HIS186E, HIS190E, HIS74F, HIS96F, ILE110F, ILE119F, ILE189E, ILE239E, ILE244E, ILE250E, ILE335E, ILE363E, ILE364E, ILE91F, LEU107F, LEU111F, LEU205E, LEU215E, LEU232E, LEU336E, LEU356E, LEU73F, LEU79F, LYS106F, LYS191E, LYS55F, LYS82F, LYS88F, MET176E, MET341E, PHE182E, PHE188E, PHE207E, PHE240E, PHE344E, PHE357E, PRO114F, PRO204E, PRO209E, PRO238E, PRO248E, PRO343E, SER116F, SER192E, SER236E, SER340E, SER359E, SER80F, SER87F, SER92F, THR112F, THR115F, THR243E, THR78F, THR90F, THR99F, TRP351E, TRP94F, TRP98F, TYR100F, TYR21E, TYR345E, TYR86F, TYR95F, VAL108F, VAL117F, VAL187E, VAL237E, VAL355E, VAL77F, VAL83F