1XK6

crystal structure- p1 form- of escherichia coli crotonobetainyl-coa: carnitine coa transferase (caib)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 423
  • Norm. En. per Res.: -5.1423
• 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	0.0	-5.7462	-1.87	-7.6162	13	0	0	260	0	7	4
A-C	-281.3637	-227.8299	-1666.01	-2175.2037	423	87	44	62870	15	84	81
A-D	0.0	11.1253	-42.5921	-31.4668	24	2	0	1832	0	13	11
B-C	0.0	6.7796	-4.2614	2.5181	15	0	0	286	0	8	9
B-D	-258.9846	-206.1792	-1681.42	-2146.5838	421	66	45	62345	15	83	80

Interface residues

• A-B: ALA13B, ALA298A, ARG188B, ASN363B, ASP158A, ASP297A, GLU294A, GLY14B, LYS295A, LYS8B, PRO287A, THR88B, TYR288A
• A-C: ALA102A, ALA102C, ALA121A, ALA121C, ALA139A, ALA139C, ALA13A, ALA13C, ALA144A, ALA144C, ALA146A, ALA146C, ALA163A, ALA163C, ALA168A, ALA168C, ALA176A, ALA176C, ALA179A, ALA179C, ALA180A, ALA180C, ALA182A, ALA182C, ALA183A, ALA183C, ALA199A, ALA199C, ALA29A, ALA29C, ALA313C, ALA318A, ALA318C, ALA320A, ALA320C, ALA336A, ALA336C, ALA38A, ALA38C, ARG16A, ARG16C, ARG188A, ARG188C, ARG206A, ARG206C, ARG224A, ARG224C, ARG337A, ARG337C, ARG349A, ARG349C, ARG53C, ARG63A, ARG63C, ARG64A, ARG64C, ASN136A, ASN136C, ASN141A, ASN141C, ASN154A, ASN154C, ASN217A, ASN217C, ASN316A, ASN316C, ASN331A, ASN331C, ASN355A, ASN355C, ASN362A, ASN362C, ASN363A, ASN363C, ASN57A, ASN57C, ASP108A, ASP108C, ASP156A, ASP156C, ASP158A, ASP158C, ASP169A, ASP169C, ASP197A, ASP197C, ASP214A, ASP214C, ASP230A, ASP230C, ASP90A, ASP90C, CYS222A, CYS222C, CYS236A, CYS236C, CYS319A, CYS319C, CYS351A, CYS351C, GLN128A, GLN128C, GLN145A, GLN145C, GLN153A, GLN153C, GLN159A, GLN159C, GLN209A, GLN209C, GLN279A, GLN279C, GLN31A, GLN31C, GLN333A, GLN333C, GLN342A, GLN342C, GLN55A, GLN55C, GLN60A, GLN60C, GLU109A, GLU109C, GLU132A, GLU132C, GLU133A, GLU133C, GLU189A, GLU189C, GLU194A, GLU194C, GLU202A, GLU202C, GLU220A, GLU220C, GLU23A, GLU23C, GLU249A, GLU249C, GLU327A, GLU327C, GLU329A, GLU329C, GLU338A, GLU338C, GLU35A, GLU35C, GLY10A, GLY10C, GLY125A, GLY125C, GLY127A, GLY127C, GLY130A, GLY130C, GLY149A, GLY149C, GLY14A, GLY14C, GLY155A, GLY155C, GLY173A, GLY173C, GLY191C, GLY193A, GLY193C, GLY208A, GLY208C, GLY218A, GLY218C, GLY219A, GLY219C, GLY228A, GLY228C, GLY237A, GLY237C, GLY244C, GLY353A, GLY353C, GLY37A, GLY37C, GLY98A, GLY98C, HIS122A, HIS122C, HIS185A, HIS185C, ILE120A, ILE120C, ILE143A, ILE143C, ILE152A, ILE152C, ILE196A, ILE196C, ILE198A, ILE198C, ILE246A, ILE246C, ILE24A, ILE24C, ILE317A, ILE317C, ILE340A, ILE340C, ILE356A, ILE356C, ILE52A, ILE52C, ILE91A, ILE91C, LEU118A, LEU118C, LEU123A, LEU123C, LEU12A, LEU12C, LEU137A, LEU137C, LEU151A, LEU151C, LEU15A, LEU15C, LEU174A, LEU174C, LEU181A, LEU181C, LEU184A, LEU184C, LEU205A, LEU205C, LEU238A, LEU238C, LEU280A, LEU280C, LEU323A, LEU323C, LEU328A, LEU328C, LEU61A, LEU61C, LYS117C, LYS186A, LYS186C, LYS192A, LYS192C, LYS227A, LYS227C, LYS229A, LYS229C, LYS240A, LYS240C, LYS309A, LYS309C, LYS321A, LYS321C, LYS352A, LYS352C, LYS359A, LYS359C, LYS361A, LYS361C, LYS8A, LYS8C, LYS97A, LYS97C, PHE126A, PHE126C, PHE147A, PHE147C, PHE164A, PHE164C, PHE171A, PHE171C, PHE211A, PHE211C, PHE216A, PHE216C, PHE28A, PHE28C, PHE33A, PHE33C, PHE360A, PHE360C, PHE9A, PHE9C, PRO116A, PRO116C, PRO11A, PRO11C, PRO138A, PRO138C, PRO160A, PRO160C, PRO162A, PRO162C, PRO165A, PRO165C, PRO223A, PRO223C, PRO231A, PRO231C, PRO27A, PRO27C, PRO326A, PRO326C, PRO332A, PRO332C, PRO354A, PRO354C, PRO358A, PRO358C, PRO364A, PRO364C, PRO56A, PRO56C, PRO59A, PRO59C, PRO99A, PRO99C, SER124A, SER124C, SER148A, SER148C, SER172A, SER172C, SER195A, SER195C, SER226A, SER226C, SER330A, SER330C, SER339A, SER339C, SER62A, SER62C, THR107A, THR107C, THR131A, THR131C, THR135A, THR135C, THR142A, THR142C, THR167A, THR167C, THR175A, THR175C, THR177A, THR177C, THR178A, THR178C, THR190A, THR190C, THR324A, THR324C, THR341A, THR341C, THR345A, THR345C, THR350A, THR350C, THR51A, THR51C, TRP112A, TRP112C, TRP343A, TRP343C, TRP36A, TRP36C, TRP48A, TRP48C, TYR129A, TYR129C, TYR134A, TYR134C, TYR140A, TYR140C, TYR150A, TYR150C, TYR166A, TYR166C, TYR170A, TYR170C, TYR201A, TYR201C, TYR210A, TYR210C, TYR215A, TYR215C, TYR232A, TYR232C, TYR233A, TYR233C, TYR239A, TYR239C, TYR245A, TYR245C, TYR334A, TYR334C, TYR58A, TYR58C, VAL119A, VAL119C, VAL157A, VAL157C, VAL187A, VAL187C, VAL203A, VAL203C, VAL247A, VAL247C, VAL251A, VAL251C, VAL322A, VAL322C, VAL325A, VAL325C, VAL335A, VAL335C, VAL54A, VAL54C
• A-D: ARG188D, GLU189D, GLU273A, GLU294A, GLY191D, GLY193D, GLY264A, HIS267A, LEU265A, LEU268A, LEU291A, LYS117D, LYS186D, LYS192D, LYS295A, PRO116D, PRO272A, PRO287A, PRO290A, THR190D, THR271A, TYR288A, VAL187D, VAL292A
• B-C: ALA298C, ASN390B, ASP297C, ASP391B, GLN393B, GLU294C, GLU389B, GLY386B, LEU291C, LYS227C, LYS240C, LYS295C, LYS383B, LYS84B, SER388B
• B-D: ALA102B, ALA121B, ALA121D, ALA139B, ALA139D, ALA13B, ALA13D, ALA144B, ALA144D, ALA146B, ALA146D, ALA163B, ALA163D, ALA168B, ALA168D, ALA176B, ALA176D, ALA179B, ALA179D, ALA180B, ALA180D, ALA182B, ALA182D, ALA183B, ALA183D, ALA199B, ALA199D, ALA29B, ALA29D, ALA313D, ALA318B, ALA318D, ALA320B, ALA320D, ALA336B, ALA336D, ALA38B, ALA38D, ARG16B, ARG16D, ARG188B, ARG188D, ARG206B, ARG206D, ARG224B, ARG224D, ARG337B, ARG337D, ARG349B, ARG349D, ARG53D, ARG63B, ARG63D, ARG64B, ARG64D, ASN136B, ASN136D, ASN141B, ASN141D, ASN154B, ASN154D, ASN217B, ASN217D, ASN316B, ASN316D, ASN331B, ASN331D, ASN355B, ASN355D, ASN362B, ASN362D, ASN363B, ASN363D, ASN57B, ASN57D, ASP108B, ASP108D, ASP156B, ASP156D, ASP158B, ASP158D, ASP169B, ASP169D, ASP197B, ASP197D, ASP214B, ASP214D, ASP230B, ASP230D, ASP90B, ASP90D, CYS222B, CYS222D, CYS236B, CYS236D, CYS319B, CYS319D, CYS351B, CYS351D, GLN128B, GLN128D, GLN145B, GLN145D, GLN153B, GLN153D, GLN159B, GLN159D, GLN209B, GLN209D, GLN255D, GLN279D, GLN31B, GLN31D, GLN333B, GLN333D, GLN342B, GLN342D, GLN55B, GLN55D, GLN60B, GLN60D, GLU109B, GLU109D, GLU132B, GLU132D, GLU133B, GLU133D, GLU189B, GLU189D, GLU194B, GLU194D, GLU202B, GLU202D, GLU220B, GLU220D, GLU23B, GLU23D, GLU249B, GLU249D, GLU327B, GLU327D, GLU329B, GLU329D, GLU338B, GLU338D, GLU35B, GLU35D, GLY10B, GLY10D, GLY125B, GLY125D, GLY127B, GLY127D, GLY130B, GLY130D, GLY149B, GLY149D, GLY14B, GLY14D, GLY155B, GLY155D, GLY173B, GLY173D, GLY191D, GLY193B, GLY193D, GLY208B, GLY208D, GLY218B, GLY218D, GLY219B, GLY219D, GLY228B, GLY228D, GLY237B, GLY237D, GLY244B, GLY244D, GLY353B, GLY353D, GLY37B, GLY37D, GLY98B, GLY98D, HIS122B, HIS122D, HIS185B, HIS185D, ILE120B, ILE120D, ILE143B, ILE143D, ILE152B, ILE152D, ILE196B, ILE196D, ILE198B, ILE198D, ILE246B, ILE246D, ILE24B, ILE24D, ILE317B, ILE317D, ILE340B, ILE340D, ILE356B, ILE356D, ILE52B, ILE52D, ILE91B, ILE91D, LEU118B, LEU118D, LEU123B, LEU123D, LEU12B, LEU12D, LEU137B, LEU137D, LEU151B, LEU151D, LEU15B, LEU15D, LEU174B, LEU174D, LEU181B, LEU181D, LEU184B, LEU184D, LEU205B, LEU205D, LEU238B, LEU238D, LEU250D, LEU280B, LEU280D, LEU323B, LEU323D, LEU328B, LEU328D, LEU61B, LEU61D, LYS117D, LYS186B, LYS186D, LYS192B, LYS192D, LYS227B, LYS227D, LYS229B, LYS229D, LYS240B, LYS240D, LYS309B, LYS309D, LYS321B, LYS321D, LYS352B, LYS352D, LYS359B, LYS359D, LYS361B, LYS361D, LYS8B, LYS8D, LYS97B, LYS97D, PHE126B, PHE126D, PHE147B, PHE147D, PHE164B, PHE164D, PHE171B, PHE171D, PHE211B, PHE211D, PHE216B, PHE216D, PHE28B, PHE28D, PHE33B, PHE33D, PHE360B, PHE360D, PHE9B, PHE9D, PRO116B, PRO116D, PRO11B, PRO11D, PRO138B, PRO138D, PRO160B, PRO160D, PRO162B, PRO162D, PRO165B, PRO165D, PRO223B, PRO223D, PRO231B, PRO231D, PRO27B, PRO27D, PRO326B, PRO326D, PRO332B, PRO332D, PRO354B, PRO354D, PRO358B, PRO358D, PRO364B, PRO364D, PRO56B, PRO56D, PRO59B, PRO59D, PRO99B, PRO99D, SER124B, SER124D, SER148B, SER148D, SER172B, SER172D, SER195B, SER195D, SER226B, SER226D, SER330B, SER330D, SER339B, SER339D, SER62B, SER62D, THR107B, THR131B, THR131D, THR135B, THR135D, THR142B, THR142D, THR167B, THR167D, THR175B, THR175D, THR177B, THR177D, THR178B, THR178D, THR190B, THR190D, THR324B, THR324D, THR341B, THR341D, THR345B, THR345D, THR350B, THR350D, THR51B, THR51D, TRP112B, TRP112D, TRP343B, TRP343D, TRP36B, TRP36D, TYR129B, TYR129D, TYR134B, TYR134D, TYR140B, TYR140D, TYR150B, TYR150D, TYR166B, TYR166D, TYR170B, TYR170D, TYR201B, TYR201D, TYR210B, TYR210D, TYR215B, TYR215D, TYR232B, TYR232D, TYR233B, TYR233D, TYR239B, TYR239D, TYR245B, TYR245D, TYR334B, TYR334D, TYR58B, TYR58D, VAL119B, VAL119D, VAL157B, VAL157D, VAL187B, VAL187D, VAL203B, VAL203D, VAL247B, VAL247D, VAL251B, VAL251D, VAL322B, VAL322D, VAL325B, VAL325D, VAL335B, VAL335D, VAL54B, VAL54D