1NDO

napthalene 1,2-dioxygenase

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 167
  • Norm. En. per Res.: -5.2469
• 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	-133.7586	-169.1554	-522.032	-824.946	163	23	10	18927	14	53	41
A-C	-85.958	-77.0283	-444.36	-607.3464	135	20	7	16130	5	47	52
A-D	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	1
A-E	-103.087	-74.8053	-441.285	-619.1774	140	23	7	16139	5	49	51
A-F	-3.6646	0.0	-31.2199	-34.8845	30	0	0	1362	0	6	5
B-C	0.0	0.0	-30.3968	-30.3968	29	0	0	1371	0	6	5
B-D	-78.8504	-30.7664	-424.158	-533.7748	141	15	8	16551	4	50	52
B-E	0.0	0.0	-0.001	-0.001	2	0	0	3	0	0	1
B-F	-88.5066	-30.7869	-429.26	-548.5535	141	18	10	16662	5	51	52
C-D	-131.2935	-171.919	-540.193	-843.4056	162	26	10	19403	15	53	41
C-E	-81.3514	-74.2578	-446.286	-601.8952	144	15	8	16009	5	49	53
C-F	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	1
D-E	0.0	0.0	-33.1396	-33.1396	29	0	0	1405	0	6	5
D-F	-76.234	-28.7177	-433.208	-538.1598	141	17	8	16657	3	52	52
E-F	-139.7962	-168.3512	-568.091	-876.2384	167	27	10	20004	14	53	41

Interface residues

• A-B: ALA193A, ALA214A, ALA228A, ALA231A, ALA263A, ALA330A, ALA345A, ALA355A, ALA50A, ALA573B, ALA574B, ALA584B, ALA93A, ALA96A, ARG218A, ARG342A, ARG343A, ARG350A, ARG569B, ARG572B, ARG577B, ARG578B, ARG598B, ARG645B, ARG647B, ARG648B, ARG683B, ASN230A, ASN322A, ASN363A, ASN365A, ASN582B, ASN586B, ASN589B, ASN591B, ASN607B, ASN610B, ASN650B, ASN689B, ASN95A, ASP264A, ASP346A, ASP361A, ASP362A, ASP364A, ASP45A, ASP53A, ASP604B, GLN349A, GLN371A, GLN563B, GLN565B, GLN593B, GLN594B, GLN602B, GLN606B, GLN651B, GLN686B, GLU221A, GLU325A, GLU359A, GLU367A, GLU570B, GLU576B, GLU583B, GLU590B, GLU600B, GLU63A, GLU682B, GLU92A, GLY184A, GLY187A, GLY210A, GLY220A, GLY229A, GLY353A, GLY356A, GLY52A, GLY609B, GLY94A, GLY98A, HIS213A, HIS44A, HIS601B, HIS688B, ILE191A, ILE319A, ILE48A, ILE567B, ILE684B, LEU182A, LEU217A, LEU265A, LEU47A, LEU571B, LEU581B, LEU595B, LEU603B, LEU614B, LEU685B, LEU690B, LEU694B, LYS188A, LYS192A, LYS580B, LYS58A, LYS596B, LYS97A, MET585B, MET691B, PHE352A, PHE357A, PHE655B, PHE693B, PRO185A, PRO186A, PRO354A, PRO49A, PRO51A, PRO605B, PRO612B, SER215A, SER216A, SER219A, SER262A, SER347A, SER360A, SER46A, SER568B, SER575B, SER611B, SER90A, THR212A, THR323A, THR324A, THR328A, THR351A, THR368A, THR43A, THR56A, THR687B, TRP211A, TRP327A, TRP358A, TRP608B, TYR329A, TYR54A, TYR564B, TYR579B, TYR588B, VAL183A, VAL189A, VAL190A, VAL326A, VAL348A, VAL55A, VAL566B, VAL587B, VAL597B, VAL599B, VAL692B, VAL89A, VAL91A
• A-C: ALA139C, ALA197A, ALA206A, ALA214A, ALA231A, ALA232A, ALA369A, ALA36C, ALA407A, ARG379A, ARG37C, ARG414A, ARG82C, ARG84C, ASN129C, ASN201A, ASN230A, ASN363A, ASN365A, ASN372A, ASN386A, ASN79C, ASP122C, ASP153C, ASP205A, ASP361A, ASP362A, ASP364A, ASP380A, ASP382A, ASP62C, CYS101C, CYS132C, CYS151C, CYS81C, GLN16A, GLN241A, GLN28C, GLN371A, GLN377A, GLU120C, GLU200A, GLU236A, GLU30C, GLU367A, GLU391A, GLU410A, GLU63C, GLY105C, GLY125C, GLY13A, GLY204A, GLY210A, GLY229A, GLY373A, GLY388A, GLY390A, GLY409A, GLY60C, GLY85C, HIS104C, HIS18A, HIS208A, HIS213A, HIS21A, HIS29C, HIS83C, ILE20A, ILE408A, ILE61C, LEU114C, LEU123C, LEU128C, LEU133C, LEU14A, LEU227A, LEU233A, LEU31C, LEU383A, LEU384A, LEU387A, LEU78C, LEU88C, LYS121C, LYS136C, LYS17A, LYS196A, LYS32C, LYS374A, LYS375A, LYS58C, LYS86C, MET366A, MET59C, PHE108C, PHE119C, PHE152C, PHE202A, PHE27C, PHE35C, PHE389A, PHE416A, PRO118C, PRO198A, PRO234A, SER102C, SER116C, SER127C, SER15A, SER370A, SER378A, SER381A, SER385A, SER406A, SER90C, THR212A, THR33C, THR368A, THR446A, THR87C, TRP106C, TRP211A, TYR103C, TYR124C, TYR207A, TYR376A, TYR413A, TYR417A, VAL100C, VAL117C, VAL138C, VAL209A, VAL64C, VAL80C, VAL89C
• A-D: ARG218A, LYS509D
• A-E: ALA139A, ALA197E, ALA206E, ALA214E, ALA228E, ALA231E, ALA232E, ALA369E, ALA36A, ALA407E, ARG379E, ARG37A, ARG414E, ARG82A, ARG84A, ASN129A, ASN201E, ASN230E, ASN363E, ASN365E, ASN372E, ASN386E, ASN79A, ASP122A, ASP153A, ASP205E, ASP361E, ASP362E, ASP364E, ASP380E, ASP382E, ASP62A, CYS101A, CYS132A, CYS151A, CYS81A, GLN16E, GLN241E, GLN28A, GLN371E, GLN377E, GLU120A, GLU200E, GLU236E, GLU30A, GLU367E, GLU391E, GLU410E, GLU63A, GLY105A, GLY107A, GLY125A, GLY13E, GLY204E, GLY210E, GLY229E, GLY373E, GLY388E, GLY390E, GLY409E, GLY60A, GLY85A, HIS104A, HIS18E, HIS208E, HIS213E, HIS21E, HIS29A, HIS83A, ILE20E, ILE319A, ILE408E, ILE61A, LEU114A, LEU123A, LEU128A, LEU133A, LEU14E, LEU227E, LEU233E, LEU31A, LEU383E, LEU384E, LEU387E, LEU40A, LEU78A, LEU88A, LYS121A, LYS136A, LYS17E, LYS196E, LYS32A, LYS374E, LYS375E, LYS58A, LYS86A, MET366E, MET59A, PHE108A, PHE119A, PHE152A, PHE202E, PHE27A, PHE35A, PHE389E, PHE416E, PRO118A, PRO198E, PRO234E, PRO235E, SER102A, SER116A, SER127A, SER15E, SER370E, SER378E, SER381E, SER385E, SER406E, SER90A, THR212E, THR33A, THR368E, THR87A, TRP106A, TRP211E, TYR103A, TYR124A, TYR207E, TYR376E, TYR413E, TYR417E, VAL100A, VAL117A, VAL138A, VAL209E, VAL64A, VAL80A, VAL89A, VAL9E
• A-F: ALA93A, ARG647F, ARG648F, ASN607F, ASN610F, ASN650F, CYS101A, GLN606F, GLU325A, GLU92A, GLY105A, GLY609F, GLY649F, ILE319A, LEU88A, LYS188A, LYS58A, LYS613F, LYS86A, PRO612F, SER102A, SER611F, SER90A, THR87A, TRP608F, TYR103A, VAL100A, VAL190A, VAL89A, VAL91A
• B-C: ALA93C, ARG647B, ARG648B, ASN607B, ASN650B, CYS101C, GLN606B, GLU325C, GLU92C, GLY105C, GLY609B, GLY649B, ILE319C, LEU88C, LYS188C, LYS58C, LYS613B, LYS86C, PRO612B, SER102C, SER611B, SER90C, THR87C, TRP608B, TYR103C, VAL100C, VAL190C, VAL89C, VAL91C
• B-D: ALA513D, ALA516D, ALA529B, ALA529D, ALA542B, ALA549B, ALA552B, ALA573D, ALA574D, ALA625D, ALA646B, ALA657D, ALA658D, ARG521D, ARG551B, ARG569D, ARG572D, ARG577D, ARG615B, ARG618B, ARG638D, ARG645B, ARG647B, ARG648B, ARG659B, ARG659D, ARG683D, ASN504D, ASN524D, ASN607B, ASN610B, ASN622B, ASN622D, ASN640B, ASN640D, ASN650B, ASP508D, ASP515D, ASP527D, ASP546B, ASP604B, ASP653B, ASP679D, CYS525D, CYS557B, GLN506D, GLN531D, GLN532B, GLN540B, GLN548B, GLN602B, GLN606B, GLN624D, GLN651B, GLN686D, GLU507D, GLU517D, GLU518D, GLU533B, GLU541B, GLU555B, GLU570D, GLU576D, GLU600B, GLU660D, GLU682D, GLY649B, HIS514D, HIS526D, HIS543B, HIS556B, HIS601B, HIS644B, ILE503D, ILE505D, ILE519D, ILE547B, ILE567D, ILE620B, ILE620D, ILE642B, ILE642D, ILE684D, LEU510D, LEU520D, LEU537B, LEU538B, LEU544B, LEU545B, LEU554B, LEU571D, LEU603B, LEU614B, LEU643B, LEU643D, LEU685D, LYS509D, LYS613B, MET502D, PHE522D, PHE523D, PHE616B, PHE619B, PHE619D, PHE655B, PHE655D, PHE677D, PRO605B, PRO612B, PRO681D, SER512D, SER528D, SER568D, SER575D, SER611B, SER639D, THR535B, THR535D, THR536B, THR539B, THR617B, THR621B, THR621D, THR687D, TRP553B, TRP608B, TYR550B, TYR656B, TYR656D, TYR680D, VAL511D, VAL599B, VAL623B, VAL623D, VAL641B, VAL641D, VAL652B, VAL654B, VAL654D, VAL670B, VAL678D
• B-E: ARG218E, LYS509B
• B-F: ALA513B, ALA516B, ALA529B, ALA529F, ALA542F, ALA549F, ALA552F, ALA573B, ALA574B, ALA625B, ALA646F, ALA657B, ALA658B, ARG521B, ARG551F, ARG569B, ARG572B, ARG577B, ARG615F, ARG618F, ARG638B, ARG645F, ARG647F, ARG648F, ARG659B, ARG659F, ARG683B, ASN504B, ASN524B, ASN607F, ASN610F, ASN622B, ASN622F, ASN640B, ASN640F, ASN650F, ASP508B, ASP515B, ASP527B, ASP546F, ASP604F, ASP653F, ASP679B, CYS525B, CYS557F, GLN506B, GLN531B, GLN532F, GLN540F, GLN548F, GLN602F, GLN606F, GLN624B, GLN651F, GLN686B, GLU507B, GLU517B, GLU518B, GLU533F, GLU541F, GLU555F, GLU570B, GLU576B, GLU600F, GLU660B, GLU682B, GLY649F, HIS514B, HIS526B, HIS543F, HIS556F, HIS601F, HIS644F, ILE503B, ILE505B, ILE519B, ILE547F, ILE567B, ILE620B, ILE620F, ILE642B, ILE642F, ILE684B, LEU510B, LEU520B, LEU537F, LEU538F, LEU544F, LEU545F, LEU554F, LEU571B, LEU603F, LEU614F, LEU643B, LEU643F, LEU685B, LYS509B, LYS613F, MET502B, PHE522B, PHE523B, PHE616F, PHE619B, PHE619F, PHE655B, PHE655F, PHE677B, PRO605F, PRO612F, PRO681B, SER512B, SER528B, SER568B, SER575B, SER611F, SER639B, THR535B, THR535F, THR536F, THR539F, THR617F, THR621B, THR621F, THR687B, TRP553F, TRP608F, TYR550F, TYR656B, TYR656F, TYR680B, VAL511B, VAL599F, VAL623B, VAL623F, VAL641B, VAL641F, VAL652F, VAL654B, VAL654F, VAL670F, VAL678B
• C-D: ALA193C, ALA214C, ALA228C, ALA231C, ALA263C, ALA330C, ALA345C, ALA355C, ALA50C, ALA573D, ALA574D, ALA584D, ALA93C, ALA96C, ARG218C, ARG342C, ARG343C, ARG350C, ARG569D, ARG572D, ARG577D, ARG578D, ARG598D, ARG645D, ARG647D, ARG648D, ARG683D, ASN230C, ASN363C, ASN365C, ASN582D, ASN586D, ASN589D, ASN591D, ASN607D, ASN610D, ASN650D, ASN689D, ASN95C, ASP264C, ASP346C, ASP361C, ASP362C, ASP364C, ASP45C, ASP53C, ASP604D, GLN349C, GLN371C, GLN563D, GLN565D, GLN593D, GLN594D, GLN602D, GLN606D, GLN651D, GLN686D, GLU221C, GLU325C, GLU359C, GLU367C, GLU570D, GLU576D, GLU583D, GLU590D, GLU600D, GLU63C, GLU682D, GLU92C, GLY184C, GLY187C, GLY210C, GLY220C, GLY229C, GLY353C, GLY356C, GLY52C, GLY609D, GLY94C, GLY98C, HIS213C, HIS44C, HIS601D, HIS688D, ILE191C, ILE319C, ILE48C, ILE567D, ILE684D, LEU182C, LEU217C, LEU265C, LEU47C, LEU571D, LEU581D, LEU595D, LEU603D, LEU614D, LEU685D, LEU690D, LYS188C, LYS192C, LYS580D, LYS58C, LYS596D, LYS97C, MET585D, MET691D, PHE352C, PHE357C, PHE655D, PHE693D, PRO185C, PRO186C, PRO354C, PRO49C, PRO51C, PRO605D, PRO612D, SER110C, SER215C, SER216C, SER219C, SER262C, SER347C, SER360C, SER46C, SER568D, SER575D, SER611D, SER90C, THR212C, THR323C, THR324C, THR328C, THR351C, THR368C, THR43C, THR56C, THR687D, TRP211C, TRP327C, TRP358C, TRP608D, TYR329C, TYR54C, TYR564D, TYR579D, TYR588D, VAL183C, VAL189C, VAL190C, VAL326C, VAL348C, VAL55C, VAL566D, VAL587D, VAL597D, VAL599D, VAL692D, VAL89C, VAL91C
• C-E: ALA139E, ALA197C, ALA206C, ALA214C, ALA228C, ALA231C, ALA232C, ALA369C, ALA36E, ALA407C, ARG379C, ARG37E, ARG414C, ARG82E, ARG84E, ASN129E, ASN201C, ASN230C, ASN363C, ASN365C, ASN372C, ASN386C, ASN79E, ASP122E, ASP153E, ASP205C, ASP361C, ASP362C, ASP364C, ASP380C, ASP382C, ASP62E, CYS101E, CYS132E, CYS151E, CYS81E, GLN16C, GLN241C, GLN28E, GLN371C, GLN377C, GLU120E, GLU137E, GLU200C, GLU236C, GLU25C, GLU25E, GLU30E, GLU367C, GLU391C, GLU410C, GLU63E, GLY105E, GLY107E, GLY125E, GLY13C, GLY204C, GLY210C, GLY229C, GLY373C, GLY388C, GLY390C, GLY409C, GLY60E, GLY85E, HIS104E, HIS18C, HIS208C, HIS213C, HIS21C, HIS29E, HIS83E, ILE20C, ILE319E, ILE34E, ILE408C, ILE61E, LEU114E, LEU123E, LEU128E, LEU133E, LEU14C, LEU227C, LEU233C, LEU31E, LEU383C, LEU384C, LEU387C, LEU78E, LEU88E, LYS121E, LYS136E, LYS17C, LYS196C, LYS32E, LYS374C, LYS375C, LYS58E, LYS86E, MET366C, MET59E, PHE108E, PHE119E, PHE152E, PHE202C, PHE27E, PHE35E, PHE389C, PHE416C, PRO118E, PRO198C, PRO234C, SER102E, SER116E, SER127E, SER15C, SER226C, SER370C, SER378C, SER381C, SER385C, SER406C, SER90E, THR212C, THR33E, THR368C, THR446C, THR87E, TRP106E, TRP211C, TYR103E, TYR124E, TYR207C, TYR376C, TYR413C, TYR417C, VAL100E, VAL117E, VAL138E, VAL209C, VAL64E, VAL80E, VAL89E, VAL9C
• C-F: ARG218C, LYS509F
• D-E: ALA93E, ARG647D, ARG648D, ASN607D, ASN650D, CYS101E, GLN606D, GLU325E, GLU92E, GLY105E, GLY609D, GLY649D, ILE319E, LEU88E, LYS188E, LYS58E, LYS613D, LYS86E, PRO612D, SER102E, SER611D, SER90E, THR87E, TRP608D, TYR103E, VAL100E, VAL190E, VAL89E, VAL91E
• D-F: ALA513F, ALA516F, ALA529D, ALA529F, ALA542D, ALA549D, ALA552D, ALA573F, ALA574F, ALA625F, ALA646D, ALA657F, ALA658F, ARG521F, ARG551D, ARG569F, ARG572F, ARG577F, ARG615D, ARG618D, ARG638F, ARG645D, ARG647D, ARG648D, ARG659D, ARG659F, ARG683F, ASN504F, ASN524F, ASN607D, ASN610D, ASN622D, ASN622F, ASN640D, ASN640F, ASN650D, ASP508F, ASP515F, ASP527F, ASP546D, ASP604D, ASP653D, ASP679F, CYS525F, CYS557D, GLN506F, GLN531F, GLN532D, GLN540D, GLN548D, GLN602D, GLN606D, GLN624F, GLN651D, GLN686F, GLU507F, GLU517F, GLU518F, GLU533D, GLU541D, GLU555D, GLU570F, GLU576F, GLU600D, GLU660F, GLU682F, GLY649D, HIS514F, HIS526F, HIS543D, HIS556D, HIS601D, HIS644D, ILE503F, ILE505F, ILE519F, ILE547D, ILE567F, ILE620D, ILE620F, ILE642D, ILE642F, ILE684F, LEU510F, LEU520F, LEU537D, LEU538D, LEU544D, LEU545D, LEU554D, LEU571F, LEU603D, LEU614D, LEU643D, LEU643F, LEU685F, LYS509F, LYS613D, MET502F, PHE522F, PHE523F, PHE616D, PHE619D, PHE619F, PHE655D, PHE655F, PHE677F, PRO605D, PRO612D, PRO681F, SER512F, SER528F, SER568F, SER575F, SER611D, SER639F, THR535D, THR535F, THR536D, THR539D, THR617D, THR621D, THR621F, THR687F, TRP553D, TRP608D, TYR550D, TYR656D, TYR656F, TYR680F, VAL511F, VAL599D, VAL623D, VAL623F, VAL641D, VAL641F, VAL652D, VAL654D, VAL654F, VAL670D, VAL678F
• E-F: ALA193E, ALA214E, ALA228E, ALA231E, ALA263E, ALA330E, ALA345E, ALA355E, ALA50E, ALA573F, ALA574F, ALA584F, ALA93E, ALA96E, ARG218E, ARG342E, ARG343E, ARG350E, ARG551F, ARG569F, ARG572F, ARG577F, ARG578F, ARG598F, ARG645F, ARG647F, ARG648F, ARG683F, ARG68E, ASN230E, ASN322E, ASN363E, ASN365E, ASN582F, ASN586F, ASN589F, ASN591F, ASN607F, ASN610F, ASN650F, ASN689F, ASN95E, ASP264E, ASP346E, ASP361E, ASP362E, ASP364E, ASP45E, ASP53E, ASP604F, GLN349E, GLN371E, GLN563F, GLN565F, GLN593F, GLN594F, GLN602F, GLN606F, GLN651F, GLN686F, GLU181E, GLU221E, GLU325E, GLU359E, GLU367E, GLU570F, GLU576F, GLU583F, GLU590F, GLU600F, GLU63E, GLU682F, GLU92E, GLY184E, GLY187E, GLY210E, GLY220E, GLY229E, GLY353E, GLY356E, GLY52E, GLY609F, GLY94E, GLY98E, HIS208E, HIS213E, HIS44E, HIS601F, HIS688F, ILE191E, ILE319E, ILE48E, ILE567F, ILE684F, LEU182E, LEU217E, LEU265E, LEU47E, LEU571F, LEU581F, LEU595F, LEU603F, LEU614F, LEU685F, LEU690F, LEU694F, LYS188E, LYS192E, LYS580F, LYS58E, LYS596F, LYS97E, MET585F, MET691F, PHE352E, PHE357E, PHE655F, PHE693F, PRO185E, PRO186E, PRO354E, PRO49E, PRO51E, PRO605F, PRO612F, SER110E, SER215E, SER216E, SER219E, SER262E, SER347E, SER360E, SER46E, SER568F, SER575F, SER611F, SER90E, THR212E, THR323E, THR328E, THR351E, THR368E, THR43E, THR56E, THR687F, TRP211E, TRP327E, TRP358E, TRP608F, TYR329E, TYR54E, TYR564F, TYR579F, TYR588F, VAL183E, VAL189E, VAL190E, VAL326E, VAL348E, VAL55E, VAL566F, VAL587F, VAL597F, VAL599F, VAL692F, VAL89E, VAL91E