2HW5

the crystal structure of human enoyl-coenzyme a (coa) hydratase short chain 1, echs1

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 180
  • Norm. En. per Res.: -4.5198
• 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	-6.9662	7.379	-70.7523	-70.3395	54	3	2	3733	2	20	30
A-C	-2.389	0.0	-128.49	-130.879	74	5	4	5175	0	19	27
A-D	-138.196	-42.5639	-632.808	-813.5679	180	25	24	26095	4	38	39
A-E	0.0	0.0	-6.3056	-6.3056	16	0	0	595	0	2	1
A-F	-107.33	-23.8344	-607.468	-738.6324	175	27	23	24544	2	38	37
B-C	-101.2314	-31.5906	-639.218	-772.04	177	17	24	25566	3	38	38
B-D	-4.997	0.0	-122.345	-127.342	75	5	4	4951	0	21	30
B-E	-125.7062	-7.9009	-608.615	-742.2221	173	31	23	25119	2	37	39
B-F	0.0	0.0	-7.0516	-7.0516	14	0	0	585	0	2	1
C-D	0.0	0.0	-6.8041	-6.8041	18	0	0	589	0	2	1
C-E	-125.1956	-33.5311	-605.331	-764.0576	170	20	22	24556	2	37	37
C-F	0.0	9.1706	-67.1645	-57.9939	50	4	2	3772	1	22	30
D-E	-14.2693	-8.2844	-72.9148	-95.4685	52	1	2	3892	3	20	30
D-F	-117.9431	-3.7189	-610.196	-731.858	172	24	23	24132	0	37	38
E-F	0.0	0.0	-132.824	-132.824	74	4	4	4926	0	18	26

Interface residues

• A-B: ALA238A, ALA246A, ALA246B, ALA268A, ALA268B, ASN245A, ASN245B, GLN125B, GLU242A, GLU242B, GLU249A, GLU249B, GLU254A, GLU254B, GLU259A, GLU259B, GLY255A, GLY255B, ILE235A, ILE235B, LEU258A, LEU258B, LEU262A, LEU262B, LYS127A, LYS127B, LYS257A, LYS257B, LYS260A, LYS260B, LYS261A, LYS261B, MET239A, MET239B, MET250A, MET250B, PHE248A, PHE248B, PHE267A, PHE267B, SER243A, SER243B, SER265A, SER265B, THR251A, THR251B, THR253A, THR253B, THR266A, THR266B, THR269A, THR269B, TYR264A, TYR264B
• A-C: ALA238A, ALA238C, ALA240A, ALA240C, ALA268A, ALA268C, ARG272A, ARG272C, ASP110A, ASP110C, ASP270A, ASP270C, ASP271A, ASP271C, ASP289A, ASP289C, CYS111A, CYS111C, GLN109A, GLN109C, GLN125A, GLN125C, GLN290A, GLN290C, GLU242A, GLU242C, GLU77A, GLU77C, ILE235A, ILE235C, LEU258A, LEU262A, LEU262C, LYS115A, LYS115C, LYS118C, LYS127A, LYS127C, LYS234A, LYS234C, LYS241A, LYS241C, LYS261A, LYS261C, LYS288C, MET239A, MET239C, PHE108A, PHE108C, PHE267A, PHE267C, SER107A, SER107C, SER113A, SER113C, SER114A, SER114C, SER243A, SER243C, SER265A, SER265C, THR266A, THR266C, THR269A, THR269C, TYR112A, TYR112C, TYR264A, TYR264C, VAL126A, VAL236A, VAL236C, VAL237A, VAL237C
• A-D: ALA132A, ALA146A, ALA173D, ALA182A, ALA182D, ALA188D, ALA206A, ALA206D, ALA222A, ALA226A, ALA230A, ALA238A, ALA240A, ALA246A, ALA246D, ALA247A, ALA247D, ALA268A, ALA278A, ALA285A, ALA57D, ALA60D, ALA84A, ALA96D, ALA98D, ARG178A, ARG178D, ARG181A, ARG181D, ARG197D, ARG272A, ARG283A, ASN105D, ASN232A, ASN245A, ASN245D, ASP110D, ASP121D, ASP150A, ASP196D, ASP202A, ASP202D, ASP270A, ASP271A, ASP99D, CYS111D, CYS149A, CYS225A, GLN104D, GLN109D, GLN162D, GLN177D, GLN201A, GLN205A, GLN205D, GLN224A, GLU102D, GLU144A, GLU144D, GLU164D, GLU190D, GLU227A, GLU242A, GLU249A, GLU249D, GLU254A, GLU259A, GLU274A, GLU281A, GLY168D, GLY172D, GLY174D, GLY175D, GLY184D, GLY195D, GLY207A, GLY255A, GLY275A, GLY83A, HIS119D, ILE100D, ILE131A, ILE151A, ILE152A, ILE165D, ILE167D, ILE170D, ILE198D, ILE212A, ILE229A, ILE235A, LEU106D, LEU117D, LEU123A, LEU145A, LEU166D, LEU179D, LEU187D, LEU193D, LEU208A, LEU252A, LEU252D, LEU258A, LEU262A, LEU58D, LYS101D, LYS115D, LYS118D, LYS127A, LYS128A, LYS185A, LYS185D, LYS204A, LYS211A, LYS228A, LYS234A, LYS241A, LYS257A, LYS260A, LYS261A, LYS273A, LYS282A, LYS284A, MET103D, MET147A, MET147D, MET148A, MET148D, MET189D, MET191D, MET239A, MET250A, MET250D, MET276A, PHE108D, PHE116D, PHE248A, PHE248D, PHE263A, PHE267A, PHE279A, PHE287A, PRO129A, PRO163D, PRO171D, SER107D, SER113D, SER114D, SER186D, SER210A, SER231A, SER233A, SER243A, SER256A, SER265A, THR124A, THR124D, THR169D, THR176D, THR180D, THR194D, THR251A, THR251D, THR253A, THR266A, THR269A, THR277A, TRP120D, TYR112D, TYR153A, TYR264A, VAL130A, VAL183A, VAL183D, VAL192D, VAL209A, VAL236A, VAL237A, VAL244A, VAL280A
• A-E: GLU254A, GLU254E, ILE170E, LEU252A, LEU252E, LYS257A, LYS257E, MET250A, MET250E, PHE108A, PHE108E, THR251A, THR251E, THR253A, THR253E, TYR112A
• A-F: ALA132F, ALA146F, ALA154F, ALA173A, ALA182A, ALA182F, ALA188A, ALA203F, ALA206A, ALA206F, ALA226F, ALA230F, ALA238F, ALA240F, ALA246A, ALA246F, ALA247A, ALA247F, ALA268F, ALA278F, ALA285F, ALA84F, ALA96A, ALA98A, ARG178A, ARG178F, ARG181A, ARG181F, ARG197A, ARG272F, ASN105A, ASN232F, ASN245A, ASN245F, ASP110A, ASP121A, ASP150F, ASP196A, ASP202A, ASP202F, ASP270F, ASP271F, ASP99A, CYS111A, CYS149F, CYS225F, GLN104A, GLN109A, GLN162A, GLN177A, GLN201F, GLN205A, GLN205F, GLN224F, GLU102A, GLU144A, GLU144F, GLU164A, GLU190A, GLU227F, GLU242F, GLU249A, GLU249F, GLU254F, GLU259F, GLU274F, GLU281F, GLY168A, GLY172A, GLY174A, GLY175A, GLY184A, GLY195A, GLY207F, GLY255F, GLY275F, GLY83F, HIS119A, ILE100A, ILE131F, ILE151F, ILE152F, ILE165A, ILE167A, ILE170A, ILE198A, ILE212F, ILE229F, ILE235F, LEU106A, LEU117A, LEU145F, LEU166A, LEU179A, LEU187A, LEU193A, LEU208F, LEU252A, LEU252F, LEU258F, LEU262F, LEU58A, LYS101A, LYS115A, LYS118A, LYS127F, LYS128F, LYS185A, LYS185F, LYS204F, LYS211F, LYS228F, LYS234F, LYS241F, LYS257F, LYS260F, LYS261F, LYS273F, MET103A, MET147A, MET147F, MET148A, MET148F, MET189A, MET191A, MET239F, MET250A, MET250F, MET276F, PHE108A, PHE116A, PHE248A, PHE248F, PHE263F, PHE267F, PHE279F, PHE287F, PRO129F, PRO163A, PRO171A, SER107A, SER113A, SER114A, SER186A, SER210F, SER231F, SER233F, SER243F, SER256F, SER265F, THR124A, THR124F, THR169A, THR176A, THR180A, THR194A, THR251A, THR251F, THR253F, THR266F, THR269F, THR277F, TRP120A, TYR112A, TYR153F, TYR264F, VAL130F, VAL183A, VAL183F, VAL192A, VAL209F, VAL236F, VAL237F, VAL244F, VAL280F
• B-C: ALA132B, ALA146B, ALA154B, ALA173C, ALA182B, ALA182C, ALA188C, ALA203B, ALA206B, ALA206C, ALA226B, ALA230B, ALA238B, ALA240B, ALA246B, ALA246C, ALA247B, ALA247C, ALA268B, ALA278B, ALA285B, ALA57C, ALA60C, ALA84B, ALA96C, ALA98C, ARG178B, ARG178C, ARG181B, ARG181C, ARG197C, ARG272B, ARG283B, ASN105C, ASN232B, ASN245B, ASN245C, ASP110C, ASP121C, ASP150B, ASP196C, ASP202C, ASP270B, ASP271B, ASP99C, CYS111C, CYS149B, CYS225B, GLN104C, GLN109C, GLN162C, GLN177C, GLN205B, GLN205C, GLN224B, GLU102C, GLU144B, GLU144C, GLU164C, GLU190C, GLU227B, GLU242B, GLU249B, GLU249C, GLU254B, GLU259B, GLU274B, GLU281B, GLY168C, GLY172C, GLY174C, GLY175C, GLY184C, GLY195C, GLY207B, GLY255B, GLY275B, GLY83B, HIS119C, ILE100C, ILE131B, ILE151B, ILE152B, ILE165C, ILE167C, ILE170C, ILE198C, ILE229B, ILE235B, LEU106C, LEU117C, LEU123B, LEU145B, LEU166C, LEU179C, LEU187C, LEU193C, LEU208B, LEU252B, LEU252C, LEU258B, LEU262B, LEU58C, LYS101C, LYS115C, LYS118C, LYS127B, LYS128B, LYS185B, LYS185C, LYS204B, LYS211B, LYS228B, LYS234B, LYS241B, LYS257B, LYS260B, LYS261B, LYS273B, LYS282B, MET103C, MET147B, MET147C, MET148B, MET148C, MET189C, MET191C, MET239B, MET250B, MET250C, MET276B, PHE108C, PHE116C, PHE248B, PHE248C, PHE263B, PHE267B, PHE279B, PHE287B, PRO129B, PRO163C, PRO171C, SER107C, SER113C, SER114C, SER186C, SER210B, SER231B, SER233B, SER243B, SER256B, SER265B, THR124B, THR124C, THR169C, THR176C, THR180C, THR194C, THR251B, THR251C, THR253B, THR266B, THR269B, THR277B, TRP120C, TYR112C, TYR153B, TYR264B, VAL130B, VAL183B, VAL183C, VAL192C, VAL209B, VAL236B, VAL237B, VAL244B, VAL280B
• B-D: ALA238B, ALA238D, ALA240B, ALA240D, ALA268B, ALA268D, ARG272B, ARG272D, ASP110B, ASP110D, ASP270B, ASP270D, ASP271B, ASP271D, ASP289B, ASP289D, CYS111B, CYS111D, GLN109B, GLN109D, GLN125B, GLN125D, GLN290B, GLN290D, GLU242B, GLU242D, GLU77B, GLU77D, HIS119D, ILE235B, ILE235D, LEU258D, LEU262B, LEU262D, LYS115B, LYS115D, LYS118D, LYS127B, LYS127D, LYS234B, LYS234D, LYS241B, LYS241D, LYS261B, LYS261D, LYS288D, LYS74B, MET239B, MET239D, PHE108B, PHE108D, PHE267B, PHE267D, SER107B, SER107D, SER113B, SER113D, SER114B, SER114D, SER243B, SER243D, SER265B, SER265D, THR266B, THR266D, THR269B, THR269D, TYR112B, TYR112D, TYR264B, TYR264D, VAL236B, VAL236D, VAL237B, VAL237D
• B-E: ALA132E, ALA146E, ALA173B, ALA182B, ALA182E, ALA188B, ALA206B, ALA206E, ALA222E, ALA226E, ALA230E, ALA238E, ALA240E, ALA246B, ALA246E, ALA247B, ALA247E, ALA268E, ALA278E, ALA285E, ALA60B, ALA84E, ALA96B, ALA98B, ARG178B, ARG178E, ARG181B, ARG181E, ARG197B, ARG272E, ASN105B, ASN232E, ASN245B, ASN245E, ASP110B, ASP121B, ASP150E, ASP196B, ASP202B, ASP270E, ASP271E, ASP99B, CYS111B, CYS149E, CYS225E, GLN104B, GLN109B, GLN162B, GLN177B, GLN201E, GLN205B, GLN205E, GLN224E, GLU102B, GLU144B, GLU144E, GLU164B, GLU190B, GLU227E, GLU242E, GLU249B, GLU249E, GLU254E, GLU259E, GLU274E, GLU281E, GLY168B, GLY172B, GLY174B, GLY175B, GLY184B, GLY195B, GLY207E, GLY255E, GLY275E, HIS119B, ILE100B, ILE131E, ILE151E, ILE152E, ILE165B, ILE167B, ILE170B, ILE198B, ILE229E, ILE235E, LEU106B, LEU117B, LEU123E, LEU145E, LEU166B, LEU179B, LEU187B, LEU193B, LEU208E, LEU252B, LEU252E, LEU258E, LEU262E, LEU58B, LYS101B, LYS115B, LYS118B, LYS127E, LYS128E, LYS185B, LYS185E, LYS204E, LYS211E, LYS228E, LYS234E, LYS241E, LYS257E, LYS260E, LYS261E, LYS273E, MET103B, MET147B, MET147E, MET148B, MET148E, MET189B, MET191B, MET239E, MET250B, MET250E, MET276E, PHE108B, PHE116B, PHE248B, PHE248E, PHE263E, PHE267E, PHE279E, PHE287E, PRO129E, PRO163B, PRO171B, SER107B, SER113B, SER114B, SER186B, SER210E, SER231E, SER233E, SER243E, SER256E, SER265E, THR124B, THR124E, THR169B, THR176B, THR180B, THR194B, THR251B, THR251E, THR253E, THR266E, THR269E, THR277E, TRP120B, TYR112B, TYR153E, TYR264E, VAL130E, VAL183B, VAL183E, VAL192B, VAL209E, VAL236E, VAL237E, VAL244E, VAL280E
• B-F: GLU254B, GLU254F, LEU252B, LEU252F, LYS257B, LYS257F, MET250B, MET250F, PHE108B, PHE108F, THR251B, THR251F, THR253B, THR253F
• C-D: GLU254C, GLU254D, ILE170C, ILE170D, LEU252C, LEU252D, LYS257C, LYS257D, MET250C, MET250D, PHE108C, PHE108D, THR251C, THR251D, THR253C, THR253D, TYR112C, TYR112D
• C-E: ALA132C, ALA146C, ALA173E, ALA182C, ALA182E, ALA188E, ALA206C, ALA206E, ALA226C, ALA230C, ALA238C, ALA240C, ALA246C, ALA246E, ALA247C, ALA247E, ALA268C, ALA278C, ALA285C, ALA60E, ALA84C, ALA96E, ALA98E, ARG178C, ARG178E, ARG181C, ARG181E, ARG197E, ARG272C, ASN105E, ASN232C, ASN245C, ASN245E, ASP110E, ASP121E, ASP150C, ASP196E, ASP202E, ASP270C, ASP271C, ASP99E, CYS111E, CYS149C, CYS225C, GLN104E, GLN109E, GLN162E, GLN177E, GLN205C, GLN205E, GLN224C, GLU102E, GLU144C, GLU144E, GLU164E, GLU190E, GLU227C, GLU242C, GLU249C, GLU249E, GLU254C, GLU259C, GLU274C, GLU281C, GLY168E, GLY172E, GLY174E, GLY175E, GLY184E, GLY195E, GLY207C, GLY255C, GLY275C, GLY83C, HIS119E, ILE100E, ILE131C, ILE151C, ILE152C, ILE165E, ILE167E, ILE170E, ILE198E, ILE229C, ILE235C, LEU106E, LEU117E, LEU145C, LEU166E, LEU179E, LEU187E, LEU193E, LEU208C, LEU252C, LEU252E, LEU258C, LEU262C, LYS101E, LYS115E, LYS118E, LYS127C, LYS128C, LYS185C, LYS185E, LYS204C, LYS211C, LYS228C, LYS234C, LYS241C, LYS257C, LYS260C, LYS261C, LYS273C, MET103E, MET147C, MET147E, MET148C, MET148E, MET189E, MET191E, MET239C, MET250C, MET250E, MET276C, PHE108E, PHE116E, PHE248C, PHE248E, PHE263C, PHE267C, PHE279C, PHE287C, PRO129C, PRO163E, PRO171E, SER107E, SER113E, SER114E, SER186E, SER210C, SER231C, SER233C, SER243C, SER256C, SER265C, THR124C, THR124E, THR169E, THR176E, THR180E, THR194E, THR251C, THR251E, THR253C, THR266C, THR269C, THR277C, TRP120E, TYR112E, TYR153C, TYR264C, VAL130C, VAL183C, VAL183E, VAL192E, VAL209C, VAL236C, VAL237C, VAL244C, VAL280C
• C-F: ALA238C, ALA246C, ALA246F, ALA268C, ALA268F, ASN245C, ASN245F, GLN125C, GLN125F, GLU242C, GLU242F, GLU249C, GLU249F, GLU254C, GLU254F, GLU259C, GLU259F, GLY255C, GLY255F, LEU258C, LEU258F, LEU262C, LEU262F, LYS257C, LYS257F, LYS260C, LYS260F, LYS261C, LYS261F, MET239C, MET239F, MET250C, MET250F, PHE248C, PHE248F, PHE267C, PHE267F, SER243C, SER243F, SER265C, SER265F, THR251C, THR251F, THR253C, THR253F, THR266C, THR269C, THR269F, TYR264C, TYR264F
• D-E: ALA238D, ALA238E, ALA246D, ALA246E, ALA268D, ALA268E, ASN245D, ASN245E, GLN125E, GLU242D, GLU242E, GLU249D, GLU249E, GLU254D, GLU254E, GLU259D, GLU259E, GLY255D, GLY255E, LEU258D, LEU258E, LEU262D, LEU262E, LYS257D, LYS257E, LYS260D, LYS260E, LYS261D, LYS261E, MET239D, MET239E, MET250D, MET250E, PHE248D, PHE248E, PHE267D, PHE267E, SER243D, SER243E, SER265D, SER265E, THR124D, THR124E, THR251D, THR251E, THR253D, THR253E, THR266D, THR269D, THR269E, TYR264D, TYR264E
• D-F: ALA132D, ALA146D, ALA173F, ALA182D, ALA182F, ALA188F, ALA206D, ALA206F, ALA222D, ALA226D, ALA230D, ALA238D, ALA240D, ALA246D, ALA246F, ALA247D, ALA247F, ALA268D, ALA278D, ALA285D, ALA60F, ALA84D, ALA96F, ALA98F, ARG178D, ARG178F, ARG181D, ARG181F, ARG272D, ASN105F, ASN232D, ASN245D, ASN245F, ASP110F, ASP121F, ASP150D, ASP196F, ASP202F, ASP270D, ASP271D, ASP99F, CYS111F, CYS149D, CYS225D, GLN104F, GLN109F, GLN162F, GLN177F, GLN205D, GLN205F, GLN224D, GLU102F, GLU144D, GLU144F, GLU164F, GLU190F, GLU227D, GLU242D, GLU249D, GLU249F, GLU254D, GLU259D, GLU274D, GLU281D, GLY168F, GLY172F, GLY174F, GLY175F, GLY184F, GLY195F, GLY207D, GLY255D, GLY275D, GLY83D, GLY97F, ILE100F, ILE131D, ILE151D, ILE152D, ILE165F, ILE167F, ILE170F, ILE198F, ILE229D, ILE235D, LEU106F, LEU117F, LEU123D, LEU145D, LEU166F, LEU179F, LEU187F, LEU193F, LEU208D, LEU252D, LEU252F, LEU258D, LEU262D, LEU58F, LYS101F, LYS115F, LYS118F, LYS127D, LYS128D, LYS185D, LYS185F, LYS204D, LYS211D, LYS228D, LYS234D, LYS241D, LYS257D, LYS260D, LYS261D, LYS273D, MET103F, MET147D, MET147F, MET148D, MET148F, MET189F, MET191F, MET239D, MET250D, MET250F, MET276D, PHE108F, PHE116F, PHE248D, PHE248F, PHE263D, PHE267D, PHE279D, PHE287D, PRO129D, PRO163F, PRO171F, SER107F, SER113F, SER114F, SER186F, SER210D, SER231D, SER233D, SER243D, SER256D, SER265D, THR124D, THR124F, THR169F, THR176F, THR180F, THR194F, THR251D, THR251F, THR253D, THR266D, THR269D, THR277D, TRP120F, TYR112F, TYR153D, TYR264D, VAL130D, VAL183D, VAL183F, VAL192F, VAL209D, VAL236D, VAL237D, VAL244D, VAL280D
• E-F: ALA238E, ALA238F, ALA240E, ALA240F, ALA268E, ALA268F, ARG272E, ARG272F, ASP110E, ASP110F, ASP270E, ASP270F, ASP271E, ASP271F, ASP289E, ASP289F, CYS111E, CYS111F, GLN109E, GLN109F, GLN125E, GLN125F, GLN290E, GLN290F, GLU242E, GLU242F, GLU77E, GLU77F, ILE235E, ILE235F, LEU258E, LEU258F, LEU262E, LEU262F, LYS115E, LYS115F, LYS127E, LYS127F, LYS234E, LYS234F, LYS241E, LYS241F, LYS261E, LYS261F, LYS273F, LYS288E, MET239E, MET239F, PHE108E, PHE108F, PHE267E, PHE267F, SER107E, SER107F, SER113E, SER113F, SER114E, SER114F, SER243E, SER243F, SER265E, SER265F, THR266E, THR266F, THR269E, THR269F, TYR112E, TYR112F, TYR264E, TYR264F, VAL236E, VAL236F, VAL237E, VAL237F