1TQY

the actinorhodin ketosynthase/chain length factor

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 288
  • Norm. En. per Res.: -4.338
• Hub Node: A(4)

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	-92.4241	-132.8906	-1015.46	-1240.7747	290	40	30	37921	12	68	61
A-C	-24.7777	-71.8865	-205.145	-301.8092	70	3	0	6850	3	34	24
A-D	0.0	0.0	-0.0427	-0.0427	4	0	0	17	0	0	0
A-F	0.0	2.8079	-0.8221	1.9858	14	0	0	187	0	8	5
B-C	0.0	0.0	-0.0227	-0.0227	4	0	0	14	0	0	0
B-F	-10.6859	32.3987	-120.251	-98.5382	80	8	0	6147	2	55	49
C-D	-94.6091	-128.328	-1016.12	-1239.0571	289	39	31	37906	12	68	59
C-E	0.0	0.0	-0.0035	-0.0035	4	0	0	2	0	2	4
C-H	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	1	2
D-G	0.0	1.2563	-0.9405	0.3158	15	0	0	188	0	8	5
D-H	-10.1142	9.7171	-120.909	-121.3061	86	9	0	6232	2	53	48
E-F	-74.7578	-126.6706	-1018.16	-1219.5884	287	44	30	38105	10	67	61
E-G	-18.9389	-74.9929	-201.916	-295.8478	70	4	0	6786	2	34	26
E-H	0.0	0.0	-0.0773	-0.0773	4	0	0	23	0	0	0
F-G	0.0	0.0	-0.0474	-0.0474	4	0	0	19	0	0	0
G-H	-82.5089	-136.8767	-1029.95	-1249.3356	288	51	30	38210	10	68	60

Interface residues

• A-B: ALA103B, ALA105B, ALA107A, ALA109A, ALA110A, ALA111A, ALA132A, ALA133A, ALA134B, ALA138B, ALA150A, ALA153A, ALA155A, ALA156B, ALA158A, ALA159B, ALA162B, ALA179A, ALA182A, ALA188A, ALA190B, ALA201B, ALA206A, ALA210A, ALA213A, ALA258B, ALA264B, ALA267A, ALA271B, ALA272A, ALA286A, ALA292A, ALA45B, ALA98A, ARG114B, ARG116A, ARG117B, ARG126A, ARG137A, ARG147B, ARG151B, ARG172B, ARG173B, ARG176B, ARG177B, ARG181A, ARG204B, ARG212A, ARG269A, ARG269B, ARG275B, ARG283A, ARG290A, ARG326A, ARG332B, ARG37B, ARG391B, ARG42B, ARG46A, ARG63B, ARG69A, ARG99A, ASN104B, ASN140B, ASN178A, ASN271A, ASN395B, ASP110B, ASP123A, ASP127A, ASP131A, ASP141A, ASP166B, ASP174A, ASP188B, ASP192B, ASP197A, ASP209A, ASP262B, ASP283B, ASP39B, ASP41A, ASP95B, ASP96A, ASP97B, CYS106B, CYS169A, CYS207A, CYS257B, CYS270A, GLN143B, GLN161B, GLN199B, GLN409A, GLN67B, GLU115A, GLU115B, GLU117A, GLU122B, GLU129A, GLU131B, GLU151A, GLU159A, GLU160B, GLU184A, GLU185A, GLU284A, GLU287A, GLU295A, GLY101A, GLY105A, GLY107B, GLY108B, GLY123B, GLY125A, GLY142B, GLY149B, GLY152B, GLY157A, GLY160A, GLY163B, GLY168A, GLY169B, GLY177A, GLY178B, GLY186A, GLY195B, GLY203B, GLY265A, GLY272B, GLY277A, GLY282A, GLY390B, GLY393B, GLY404A, GLY406A, GLY407A, GLY99B, HIS113B, HIS138A, HIS148B, HIS170B, HIS274A, ILE144B, ILE146B, ILE183A, ILE200B, ILE203A, ILE205B, ILE211A, LEU104A, LEU114A, LEU119A, LEU119B, LEU120A, LEU121A, LEU135A, LEU143A, LEU157B, LEU191B, LEU279B, LEU348A, LEU64B, LEU95A, LYS118B, LYS125B, LYS279A, MET139A, MET148A, MET150B, MET164A, MET191A, MET275A, MET285A, MET98B, PHE109B, PHE111B, PHE116B, PHE133B, PHE136B, PHE140A, PHE208A, PHE235A, PHE261B, PHE38B, PHE394B, PHE405A, PHE408A, PHE40A, PRO124B, PRO145A, PRO149A, PRO153B, PRO161A, PRO193B, PRO199A, PRO202A, PRO227B, PRO263B, PRO265B, PRO270B, PRO42A, PRO44A, PRO44B, PRO97A, SER103A, SER106A, SER113A, SER121B, SER122A, SER124A, SER126B, SER128B, SER132B, SER136A, SER145B, SER146A, SER154B, SER155B, SER166A, SER171A, SER175A, SER187A, SER189B, SER198B, SER202B, SER259B, SER267B, SER335B, SER410A, SER41B, SER43A, THR102B, THR112A, THR112B, THR141B, THR163A, THR167A, THR170A, THR174B, THR179B, THR201A, THR260B, THR268A, THR276A, THR288A, THR68B, THR72B, THR94B, TRP120B, TRP128A, TRP134A, TRP135B, TRP154A, TRP194B, TRP196B, TRP392B, TYR118A, TYR130B, TYR137B, TYR142A, TYR225B, TYR266A, TYR273A, TYR334B, TYR43B, TYR45A, TYR96B, VAL100A, VAL100B, VAL101B, VAL102A, VAL108A, VAL127B, VAL129B, VAL130A, VAL139B, VAL144A, VAL147A, VAL152A, VAL156A, VAL158B, VAL162A, VAL165A, VAL180A, VAL197B, VAL204A, VAL205A, VAL291A, VAL40B
• A-C: ALA132A, ALA132C, ALA133A, ALA133C, ARG116A, ARG116C, ARG126A, ARG126C, ARG137A, ARG137C, ARG65A, ARG65C, ARG69A, ARG69C, ASP123A, ASP123C, ASP127A, ASP127C, ASP131A, ASP131C, ASP41A, ASP41C, ASP68A, ASP68C, GLU115A, GLU115C, GLU117A, GLU117C, GLU129A, GLU129C, GLU66A, GLU66C, GLY125A, GLY125C, GLY63A, GLY63C, HIS138A, HIS138C, LEU119A, LEU119C, LEU120A, LEU120C, LEU121A, LEU121C, LEU135A, LEU135C, LEU67A, LEU67C, MET139A, MET139C, MET70A, MET70C, PHE40A, PHE40C, PRO64A, PRO64C, SER122A, SER122C, SER124A, SER124C, SER136A, SER136C, TRP134A, TRP134C, TYR118A, TYR118C, VAL130A, VAL130C, VAL58A, VAL58C
• A-D: PRO64A, TRP120D, TRP134A, TRP392D
• A-F: ALA210A, ARG126A, ARG269F, ARG310F, ARG314F, ARG318F, ASP127A, GLU129A, GLU289F, GLY125A, GLY268F, ILE211A, PRO270F, TRP128A
• B-C: PRO64C, TRP120B, TRP134C, TRP392B
• B-F: ALA271F, ALA311F, ALA56B, ARG114B, ARG117B, ARG275F, ARG278F, ARG310F, ARG314F, ARG318F, ARG365F, ARG377F, ARG37B, ARG63B, ARG73B, ASN282F, ASP110B, ASP290F, ASP370F, ASP52B, ASP53B, ASP58B, ASP69B, GLN50B, GLN67B, GLU115B, GLU122B, GLU229B, GLU274F, GLU289F, GLU319F, GLU366F, GLY123B, GLY272F, GLY287F, GLY313F, GLY317F, GLY320F, GLY368F, GLY62B, HIS55B, ILE369F, ILE51B, ILE60B, LEU119B, LEU191B, LEU371F, LEU373F, LEU64B, LEU65B, LEU74B, LYS118B, LYS125B, PHE111B, PHE316F, PHE38B, PHE54B, PRO124B, PRO270F, PRO288F, PRO322F, PRO364F, PRO57B, PRO66B, PRO70B, SER121B, SER126B, SER128B, SER189B, SER71B, THR36B, THR379F, THR68B, TYR130B, VAL127B, VAL129B, VAL291F, VAL315F, VAL321F, VAL363F
• C-D: ALA103D, ALA105D, ALA107C, ALA109C, ALA110C, ALA111C, ALA132C, ALA133C, ALA134D, ALA138D, ALA150C, ALA153C, ALA155C, ALA156D, ALA158C, ALA159D, ALA162D, ALA167D, ALA179C, ALA182C, ALA190D, ALA201D, ALA206C, ALA210C, ALA213C, ALA258D, ALA264D, ALA267C, ALA271D, ALA272C, ALA286C, ALA292C, ALA98C, ARG114D, ARG116C, ARG117D, ARG126C, ARG137C, ARG147D, ARG151D, ARG172D, ARG173D, ARG176D, ARG177D, ARG181C, ARG204D, ARG212C, ARG269C, ARG269D, ARG275D, ARG283C, ARG290C, ARG326C, ARG332D, ARG37D, ARG391D, ARG42D, ARG46C, ARG63D, ARG69C, ARG99C, ASN104D, ASN140D, ASN178C, ASN271C, ASN395D, ASP110D, ASP123C, ASP127C, ASP131C, ASP141C, ASP166D, ASP174C, ASP188D, ASP192D, ASP197C, ASP209C, ASP262D, ASP283D, ASP39D, ASP41C, ASP95D, ASP96C, ASP97D, CYS106D, CYS169C, CYS207C, CYS257D, CYS270C, GLN143D, GLN161D, GLN199D, GLN409C, GLN67D, GLU115C, GLU115D, GLU117C, GLU122D, GLU129C, GLU131D, GLU151C, GLU159C, GLU160D, GLU184C, GLU185C, GLU284C, GLU287C, GLU295C, GLY101C, GLY105C, GLY107D, GLY123D, GLY125C, GLY142D, GLY149D, GLY152D, GLY157C, GLY160C, GLY163D, GLY168C, GLY169D, GLY177C, GLY178D, GLY186C, GLY195D, GLY203D, GLY265C, GLY272D, GLY277C, GLY282C, GLY390D, GLY393D, GLY404C, GLY406C, GLY407C, GLY99D, HIS113D, HIS138C, HIS148D, HIS170D, HIS274C, ILE144D, ILE146D, ILE183C, ILE200D, ILE203C, ILE205D, ILE211C, LEU104C, LEU114C, LEU119C, LEU119D, LEU121C, LEU135C, LEU143C, LEU157D, LEU191D, LEU279D, LEU348C, LEU64D, LEU95C, LYS118D, LYS125D, LYS279C, MET139C, MET148C, MET150D, MET164C, MET191C, MET275C, MET285C, MET98D, PHE109D, PHE111D, PHE116D, PHE133D, PHE136D, PHE140C, PHE208C, PHE235C, PHE261D, PHE38D, PHE394D, PHE405C, PHE408C, PHE40C, PRO124D, PRO145C, PRO149C, PRO153D, PRO161C, PRO180D, PRO193D, PRO199C, PRO202C, PRO227D, PRO263D, PRO265D, PRO270D, PRO42C, PRO44C, PRO44D, PRO97C, SER103C, SER106C, SER113C, SER121D, SER122C, SER124C, SER126D, SER128D, SER132D, SER136C, SER145D, SER146C, SER154D, SER155D, SER166C, SER171C, SER175C, SER187C, SER189D, SER198D, SER202D, SER259D, SER267D, SER335D, SER410C, SER41D, SER43C, SER47C, THR102D, THR112C, THR112D, THR141D, THR163C, THR167C, THR170C, THR174D, THR179D, THR201C, THR260D, THR268C, THR276C, THR288C, THR68D, THR72D, THR94D, TRP120D, TRP128C, TRP134C, TRP135D, TRP154C, TRP194D, TRP196D, TRP392D, TYR118C, TYR130D, TYR137D, TYR142C, TYR225D, TYR266C, TYR273C, TYR334D, TYR43D, TYR45C, TYR96D, VAL100C, VAL100D, VAL101D, VAL102C, VAL108C, VAL127D, VAL129D, VAL130C, VAL139D, VAL144C, VAL147C, VAL152C, VAL156C, VAL158D, VAL162C, VAL165C, VAL180C, VAL197D, VAL204C, VAL205C, VAL291C, VAL40D
• C-E: ASP93C, ASP93E, PRO92C, PRO92E
• C-H: ALA98C, GLU122H
• D-G: ALA210G, ARG126G, ARG269D, ARG310D, ARG314D, ARG318D, ASP127G, GLU289D, GLY125G, GLY268D, ILE211G, PRO270D, PRO288D, TRP128G, TYR118G
• D-H: ALA271D, ALA309D, ALA311D, ALA56H, ARG114H, ARG117H, ARG269D, ARG275D, ARG278D, ARG310D, ARG314D, ARG318D, ARG365D, ARG377D, ARG37H, ARG63H, ARG73H, ASN282D, ASP110H, ASP290D, ASP370D, ASP52H, ASP53H, ASP58H, ASP69H, GLN50H, GLN67H, GLU115H, GLU122H, GLU229H, GLU274D, GLU289D, GLU319D, GLU366D, GLY123H, GLY268D, GLY272D, GLY287D, GLY313D, GLY317D, GLY320D, GLY368D, GLY62H, HIS113H, HIS55H, ILE312D, ILE369D, ILE51H, ILE60H, LEU119H, LEU191H, LEU371D, LEU373D, LEU64H, LEU65H, LEU74H, LYS118H, LYS125H, PHE111H, PHE316D, PHE38H, PHE54H, PRO124H, PRO270D, PRO288D, PRO322D, PRO364D, PRO57H, PRO66H, PRO70H, SER121H, SER126H, SER128H, SER189H, SER71H, THR36H, THR379D, THR68H, TYR130H, TYR367D, VAL127H, VAL129H, VAL291D, VAL315D, VAL321D, VAL363D
• E-F: ALA103F, ALA105F, ALA107E, ALA109E, ALA110E, ALA111E, ALA132E, ALA133E, ALA134F, ALA138F, ALA150E, ALA153E, ALA155E, ALA156F, ALA158E, ALA159F, ALA162F, ALA179E, ALA182E, ALA190F, ALA201F, ALA206E, ALA210E, ALA213E, ALA258F, ALA264F, ALA267E, ALA271F, ALA272E, ALA286E, ALA292E, ALA45F, ALA98E, ARG114F, ARG116E, ARG117F, ARG126E, ARG137E, ARG147F, ARG151F, ARG172F, ARG173F, ARG176F, ARG177F, ARG181E, ARG204F, ARG212E, ARG269E, ARG269F, ARG275F, ARG283E, ARG290E, ARG326E, ARG332F, ARG37F, ARG391F, ARG42F, ARG46E, ARG63F, ARG69E, ARG99E, ASN104F, ASN140F, ASN178E, ASN271E, ASN395F, ASP110F, ASP123E, ASP127E, ASP131E, ASP141E, ASP166F, ASP174E, ASP188F, ASP192F, ASP197E, ASP209E, ASP262F, ASP283F, ASP39F, ASP95F, ASP96E, ASP97F, CYS106F, CYS169E, CYS207E, CYS257F, CYS270E, GLN143F, GLN161F, GLN199F, GLN409E, GLN67F, GLU115E, GLU115F, GLU117E, GLU122F, GLU129E, GLU131F, GLU151E, GLU159E, GLU160F, GLU184E, GLU185E, GLU284E, GLU287E, GLU295E, GLY101E, GLY105E, GLY107F, GLY123F, GLY125E, GLY142F, GLY149F, GLY152F, GLY157E, GLY160E, GLY163F, GLY168E, GLY169F, GLY177E, GLY178F, GLY186E, GLY195F, GLY203F, GLY265E, GLY272F, GLY277E, GLY282E, GLY390F, GLY393F, GLY404E, GLY406E, GLY407E, GLY99F, HIS113F, HIS138E, HIS148F, HIS170F, HIS274E, ILE144F, ILE146F, ILE183E, ILE200F, ILE203E, ILE205F, ILE211E, LEU104E, LEU114E, LEU119E, LEU119F, LEU121E, LEU135E, LEU143E, LEU157F, LEU191F, LEU279F, LEU348E, LEU64F, LEU95E, LYS118F, LYS125F, LYS279E, MET139E, MET148E, MET150F, MET164E, MET191E, MET275E, MET285E, MET98F, PHE109F, PHE111F, PHE116F, PHE133F, PHE136F, PHE140E, PHE208E, PHE235E, PHE261F, PHE38F, PHE394F, PHE405E, PHE408E, PHE40E, PRO124F, PRO145E, PRO149E, PRO153F, PRO161E, PRO193F, PRO199E, PRO202E, PRO227F, PRO263F, PRO265F, PRO270F, PRO42E, PRO44E, PRO44F, PRO97E, SER103E, SER106E, SER113E, SER121F, SER122E, SER124E, SER126F, SER128F, SER132F, SER136E, SER145F, SER146E, SER154F, SER155F, SER166E, SER171E, SER175E, SER187E, SER189F, SER198F, SER202F, SER259F, SER267F, SER335F, SER410E, SER41F, SER43E, SER47E, THR102F, THR112E, THR112F, THR141F, THR163E, THR167E, THR170E, THR174F, THR179F, THR201E, THR260F, THR268E, THR276E, THR288E, THR68F, THR72F, THR94F, TRP120F, TRP128E, TRP134E, TRP135F, TRP154E, TRP194F, TRP196F, TRP392F, TYR118E, TYR130F, TYR137F, TYR142E, TYR225F, TYR266E, TYR273E, TYR334F, TYR43F, TYR45E, TYR96F, VAL100E, VAL100F, VAL101F, VAL102E, VAL108E, VAL127F, VAL129F, VAL130E, VAL139F, VAL144E, VAL147E, VAL152E, VAL156E, VAL158F, VAL162E, VAL165E, VAL180E, VAL197F, VAL204E, VAL205E, VAL291E, VAL40F
• E-G: ALA132E, ALA132G, ALA133E, ALA133G, ARG116E, ARG116G, ARG126E, ARG126G, ARG137E, ARG137G, ARG65E, ARG65G, ARG69E, ARG69G, ASP123E, ASP123G, ASP127E, ASP127G, ASP131E, ASP131G, ASP41E, ASP41G, ASP68E, ASP68G, GLU115E, GLU115G, GLU117E, GLU117G, GLU129E, GLU129G, GLU66E, GLU66G, GLY125E, GLY125G, GLY63E, GLY63G, HIS138E, HIS138G, LEU119E, LEU119G, LEU120E, LEU120G, LEU121E, LEU121G, LEU135E, LEU135G, LEU67E, LEU67G, MET139E, MET139G, MET70E, MET70G, PHE40E, PHE40G, PRO64E, PRO64G, SER122E, SER122G, SER124E, SER124G, SER136E, SER136G, TRP134E, TRP134G, TYR118E, TYR118G, VAL130E, VAL130G, VAL58E, VAL58G
• E-H: PRO64E, TRP120H, TRP134E, TRP392H
• F-G: PRO64G, TRP120F, TRP134G, TRP392F
• G-H: ALA103H, ALA105H, ALA107G, ALA109G, ALA110G, ALA111G, ALA132G, ALA133G, ALA134H, ALA138H, ALA150G, ALA153G, ALA155G, ALA156H, ALA158G, ALA159H, ALA162H, ALA167H, ALA179G, ALA182G, ALA190H, ALA201H, ALA206G, ALA210G, ALA213G, ALA258H, ALA264H, ALA267G, ALA271H, ALA272G, ALA286G, ALA45H, ALA98G, ARG114H, ARG116G, ARG117H, ARG126G, ARG137G, ARG147H, ARG151H, ARG172H, ARG173H, ARG176H, ARG177H, ARG181G, ARG204H, ARG212G, ARG269G, ARG269H, ARG275H, ARG283G, ARG290G, ARG326G, ARG332H, ARG37H, ARG391H, ARG42H, ARG46G, ARG63H, ARG69G, ARG99G, ASN104H, ASN140H, ASN178G, ASN271G, ASN395H, ASP110H, ASP123G, ASP127G, ASP131G, ASP141G, ASP166H, ASP174G, ASP188H, ASP192H, ASP197G, ASP209G, ASP262H, ASP39H, ASP41G, ASP95H, ASP96G, ASP97H, CYS106H, CYS169G, CYS207G, CYS257H, CYS270G, GLN143H, GLN161H, GLN199H, GLN409G, GLN67H, GLU115G, GLU115H, GLU117G, GLU122H, GLU129G, GLU131H, GLU151G, GLU159G, GLU160H, GLU184G, GLU185G, GLU284G, GLU287G, GLU295G, GLY101G, GLY105G, GLY107H, GLY108H, GLY123H, GLY125G, GLY142H, GLY149H, GLY152H, GLY157G, GLY160G, GLY163H, GLY168G, GLY169H, GLY177G, GLY178H, GLY186G, GLY195H, GLY203H, GLY265G, GLY272H, GLY277G, GLY282G, GLY390H, GLY393H, GLY404G, GLY406G, GLY407G, GLY99H, HIS113H, HIS138G, HIS148H, HIS170H, HIS274G, ILE144H, ILE146H, ILE183G, ILE200H, ILE203G, ILE205H, ILE211G, LEU104G, LEU114G, LEU119G, LEU119H, LEU121G, LEU135G, LEU143G, LEU157H, LEU191H, LEU279H, LEU348G, LEU64H, LEU95G, LYS118H, LYS125H, LYS279G, MET139G, MET148G, MET150H, MET164G, MET191G, MET275G, MET285G, MET98H, PHE109H, PHE111H, PHE116H, PHE133H, PHE136H, PHE140G, PHE208G, PHE235G, PHE261H, PHE38H, PHE394H, PHE405G, PHE408G, PHE40G, PRO124H, PRO145G, PRO149G, PRO153H, PRO161G, PRO180H, PRO193H, PRO199G, PRO202G, PRO227H, PRO263H, PRO265H, PRO270H, PRO42G, PRO44G, PRO44H, PRO97G, SER103G, SER106G, SER113G, SER121H, SER122G, SER124G, SER126H, SER128H, SER132H, SER136G, SER145H, SER146G, SER154H, SER155H, SER166G, SER171G, SER175G, SER187G, SER189H, SER198H, SER202H, SER259H, SER267H, SER335H, SER410G, SER43G, SER47G, THR102H, THR112G, THR112H, THR141H, THR163G, THR167G, THR170G, THR174H, THR179H, THR201G, THR260H, THR268G, THR276G, THR288G, THR68H, THR72H, THR94H, TRP120H, TRP128G, TRP134G, TRP135H, TRP154G, TRP194H, TRP196H, TRP392H, TYR118G, TYR130H, TYR137H, TYR142G, TYR225H, TYR266G, TYR273G, TYR334H, TYR43H, TYR45G, TYR96H, VAL100G, VAL100H, VAL101H, VAL102G, VAL108G, VAL127H, VAL129H, VAL130G, VAL139H, VAL144G, VAL147G, VAL152G, VAL156G, VAL158H, VAL162G, VAL165G, VAL180G, VAL197H, VAL204G, VAL205G, VAL291G, VAL40H