2F2S

human mitochondrial acetoacetyl-coa thiolase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 231
  • Norm. En. per Res.: -4.3986
• 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	-53.5201	30.0185	-224.933	-248.4346	77	13	2	7966	0	4	1
A-C	-18.9745	-0.9069	-55.1911	-75.0725	50	4	0	2206	0	13	15
A-D	-197.8903	-33.3248	-739.84	-971.0551	231	38	11	28238	9	40	32
B-C	-211.8795	-37.0092	-767.186	-1016.0747	231	34	11	28864	10	42	36
B-D	-10.5483	0.0	-28.5257	-39.074	31	2	0	1133	0	11	13

Interface residues

• A-B: ALA314A, ALA314B, ALA316A, ALA316B, ALA332A, ALA332B, ALA333B, ALA421A, ALA421B, ARG311A, ARG311B, ARG38A, ARG38B, ASP317A, ASP317B, ASP339A, ASP339B, CYS142A, CYS142B, GLN138A, GLN138B, GLU41A, GLU41B, GLY143A, GLY143B, GLY341A, GLY341B, GLY34A, GLY34B, GLY39A, GLY39B, ILE312A, ILE312B, LEU140A, LEU140B, LEU337A, LEU337B, LEU35A, LEU35B, LEU423A, LEU423B, LYS338A, LYS338B, MET134A, MET134B, MET141A, MET141B, MET335A, MET335B, MET422A, MET422B, PHE315A, PHE315B, PRO37A, PRO37B, SER137A, SER137B, SER32A, SER334A, SER334B, SER33A, SER33B, SER40A, SER40B, THR297A, THR297B, TYR331B, VAL313A, VAL313B, VAL336A, VAL336B, VAL340A, VAL340B, VAL36A, VAL36B, VAL42A, VAL42B
• A-C: ALA298A, ALA301A, ALA310A, ARG311A, ARG311C, ARG38A, ARG38C, ASP299C, ASP339C, CYS142C, GLN138C, GLN145C, GLN404A, GLN425A, GLU41A, GLY143C, GLY341C, GLY34A, GLY39C, GLY405A, HIS144C, ILE312A, ILE44A, LEU140C, LEU309A, LEU342C, LEU35A, LEU427A, LYS302A, LYS302C, LYS338C, LYS426A, MET141C, PRO308A, PRO37A, SER139C, SER32A, SER33A, SER40A, SER40C, THR297A, THR307A, TYR407A, TYR407C, VAL313A, VAL313C, VAL340C, VAL36A, VAL42A, VAL43A
• A-D: ALA102A, ALA102D, ALA107A, ALA107D, ALA127A, ALA127D, ALA132A, ALA132D, ALA136A, ALA136D, ALA314A, ALA314D, ALA316A, ALA316D, ALA318A, ALA318D, ALA319A, ALA319D, ALA328A, ALA328D, ALA332A, ALA332D, ALA419A, ALA419D, ALA89A, ALA89D, ARG105A, ARG105D, ARG165A, ARG165D, ARG38A, ASN123A, ASN123D, ASN158A, ASN158D, ASN164A, ASN164D, ASN414A, ASN414D, ASN93A, ASN93D, ASP177A, ASP177D, ASP182A, ASP182D, ASP186A, ASP186D, ASP317A, ASP317D, ASP324D, ASP339D, CYS119A, CYS119D, CYS142A, CYS142D, CYS196A, CYS196D, GLN101A, GLN101D, GLN106A, GLN106D, GLN138A, GLN138D, GLN145A, GLN145D, GLN96A, GLN96D, GLU176A, GLU176D, GLU321A, GLU321D, GLU88A, GLU88D, GLU99A, GLU99D, GLY100A, GLY100D, GLY110A, GLY110D, GLY143A, GLY143D, GLY166A, GLY166D, GLY183A, GLY183D, GLY415A, GLY415D, GLY416A, GLY416D, GLY417A, GLY417D, GLY418A, GLY418D, GLY92A, GLY92D, GLY97A, GLY97D, GLY98A, GLY98D, HIS144A, HIS144D, HIS192A, HIS192D, ILE115A, ILE115D, ILE122A, ILE122D, ILE179A, ILE179D, ILE191A, ILE191D, ILE323A, ILE323D, ILE387A, ILE387D, LEU109A, LEU109D, LEU140A, LEU140D, LEU175A, LEU175D, LEU178A, LEU178D, LEU184A, LEU184D, LEU286A, LEU286D, LEU56A, LEU56D, LEU95A, LEU95D, LYS124A, LYS124D, LYS131A, LYS131D, LYS181A, LYS181D, LYS87A, LYS87D, MET134A, MET134D, MET135A, MET135D, MET141A, MET141D, MET148A, MET148D, MET156A, MET156D, MET163A, MET163D, MET193A, MET193D, MET335A, MET335D, MET91A, MET91D, PHE315A, PHE315D, PHE325A, PHE325D, PHE55A, PHE55D, PRO103A, PRO103D, PRO114A, PRO114D, PRO118A, PRO118D, PRO160A, PRO160D, PRO322A, PRO322D, SER116A, SER116D, SER128A, SER128D, SER137A, SER137D, SER139A, SER139D, SER155A, SER155D, SER157A, SER157D, SER167D, SER420A, SER420D, SER60A, SER60D, SER69A, SER69D, THR104A, THR104D, THR117A, THR117D, THR120A, THR120D, THR121A, THR121D, THR168A, THR185A, THR185D, THR65A, THR65D, TYR161A, TYR161D, TYR188A, TYR188D, TYR90A, TYR90D, VAL108A, VAL108D, VAL125A, VAL125D, VAL159A, VAL159D, VAL162A, VAL162D, VAL173D, VAL180A, VAL180D, VAL187A, VAL187D, VAL313D, VAL320A, VAL320D, VAL42A, VAL42D, VAL94A, VAL94D
• B-C: ALA102B, ALA102C, ALA107B, ALA107C, ALA127B, ALA127C, ALA132B, ALA132C, ALA136B, ALA136C, ALA314B, ALA314C, ALA316B, ALA316C, ALA318B, ALA318C, ALA319B, ALA319C, ALA328B, ALA328C, ALA332B, ALA332C, ALA419B, ALA419C, ALA89B, ALA89C, ARG105B, ARG105C, ARG165B, ARG165C, ARG38B, ASN123B, ASN123C, ASN158B, ASN158C, ASN164B, ASN164C, ASN414B, ASN414C, ASN93B, ASN93C, ASP177B, ASP177C, ASP182B, ASP182C, ASP186B, ASP186C, ASP317B, ASP317C, ASP324B, ASP324C, ASP339B, ASP339C, CYS119B, CYS119C, CYS142B, CYS142C, GLN101B, GLN101C, GLN106B, GLN106C, GLN138B, GLN138C, GLN145B, GLN145C, GLN96B, GLN96C, GLU176B, GLU176C, GLU321B, GLU321C, GLU88B, GLU88C, GLU99B, GLU99C, GLY100B, GLY100C, GLY110B, GLY110C, GLY143B, GLY143C, GLY166B, GLY166C, GLY183B, GLY183C, GLY415B, GLY415C, GLY416B, GLY416C, GLY417B, GLY417C, GLY418B, GLY418C, GLY92B, GLY92C, GLY97B, GLY97C, GLY98B, GLY98C, HIS144B, HIS144C, HIS192B, HIS192C, ILE115B, ILE115C, ILE122B, ILE122C, ILE179B, ILE179C, ILE191B, ILE191C, ILE312C, ILE323B, ILE323C, ILE387B, ILE387C, LEU109B, LEU109C, LEU140B, LEU140C, LEU175B, LEU175C, LEU178B, LEU178C, LEU184B, LEU184C, LEU286B, LEU286C, LEU56B, LEU56C, LEU95B, LEU95C, LYS124B, LYS124C, LYS131B, LYS131C, LYS181B, LYS181C, LYS87B, LYS87C, MET134B, MET134C, MET135B, MET135C, MET141B, MET141C, MET148B, MET148C, MET156B, MET156C, MET163B, MET163C, MET193B, MET193C, MET335B, MET335C, MET91B, MET91C, PHE315B, PHE315C, PHE325B, PHE325C, PHE55B, PHE55C, PRO103B, PRO103C, PRO114B, PRO114C, PRO118B, PRO118C, PRO160B, PRO160C, PRO322B, PRO322C, SER116B, SER116C, SER128B, SER128C, SER137B, SER137C, SER139B, SER139C, SER155B, SER155C, SER157B, SER157C, SER167B, SER167C, SER420B, SER420C, SER60B, SER60C, THR104B, THR104C, THR117B, THR117C, THR120B, THR120C, THR121B, THR121C, THR168C, THR185B, THR185C, THR65B, THR65C, TYR161B, TYR161C, TYR188B, TYR188C, TYR90B, TYR90C, VAL108B, VAL108C, VAL125B, VAL125C, VAL159B, VAL159C, VAL162B, VAL162C, VAL180B, VAL180C, VAL187B, VAL187C, VAL313B, VAL313C, VAL320B, VAL320C, VAL42B, VAL42C, VAL94B, VAL94C
• B-D: ARG311B, ARG311D, ARG38B, ASN305B, ASP299D, ASP339D, CYS142D, GLN138D, GLN145D, GLN404B, GLN425B, GLU406B, GLU41D, GLY143D, GLY341D, GLY34B, GLY405B, HIS144D, LEU140D, LEU35B, LYS302B, LYS302D, MET141D, PRO37B, SER139D, SER33B, SER40D, TYR407B, VAL313D, VAL340D, VAL36B