2A1T

structure of the human mcad:etf e165betaa complex

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: R-S
  • Int. Res.: 213
  • Norm. En. per Res.: -4.5715
• 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	-96.0611	20.3403	-470.302	-546.0227	163	24	4	16965	4	39	33
A-C	-21.19	0.0	-41.9819	-63.1719	24	2	3	1351	0	4	5
A-D	-56.9808	-72.4358	-690.709	-820.1256	181	21	24	25694	3	60	51
A-R	0.0	0.0	-0.4294	-0.4294	2	0	0	50	0	1	1
A-S	0.0	2.438	-16.9596	-14.5216	16	0	0	838	0	12	16
B-C	-62.6901	-48.0523	-735.135	-845.8774	186	23	24	26400	4	60	47
B-D	-27.5803	0.0	-42.8239	-70.4042	23	2	3	1350	0	4	5
C-D	-69.1894	18.0656	-461.658	-512.7818	164	23	4	16925	2	38	36
C-R	-6.3454	-33.8965	-57.1296	-97.3715	57	3	1	3126	2	21	24
D-R	0.0	-19.8383	-52.7927	-72.631	30	1	0	2144	1	8	7
D-S	-25.9327	-6.1994	-180.324	-212.4561	77	12	8	7047	0	41	24
R-S	-216.3331	-70.3207	-687.076	-973.7298	213	49	22	28411	5	69	55

Interface residues

• A-B: ALA140A, ALA140B, ALA145A, ALA145B, ALA293A, ALA293B, ALA344A, ALA344B, ALA347A, ALA347B, ALA369A, ALA369B, ARG210A, ARG210B, ARG218A, ARG218B, ARG223A, ARG223B, ARG281A, ARG281B, ARG367A, ARG367B, ARG383A, ARG383B, ARG388B, ASN214A, ASN214B, ASN341A, ASN341B, ASN354A, ASN354B, ASN357A, ASN357B, ASP143A, ASP143B, ASP338A, ASP338B, ASP346A, ASP346B, ASP368A, ASP368B, GLN217A, GLN217B, GLN292A, GLN342A, GLN342B, GLN349A, GLN349B, GLN373A, GLN373B, GLN380A, GLN380B, GLU137A, GLU137B, GLU212A, GLU212B, GLU359A, GLU359B, GLU363A, GLU363B, GLY139A, GLY139B, GLY141A, GLY141B, GLY146A, GLY146B, GLY216A, GLY216B, GLY285A, GLY285B, GLY352A, GLY352B, GLY353A, GLY353B, GLY355A, GLY355B, GLY377A, HIS291A, HIS291B, ILE294A, ILE294B, ILE350A, ILE350B, ILE371A, ILE371B, ILE374A, ILE374B, ILE381A, ILE381B, LEU213A, LEU213B, LEU288A, LEU288B, LEU351A, LEU351B, LEU365A, LEU384A, LEU384B, LYS211A, LYS211B, LYS282A, LYS282B, LYS286A, LYS286B, LYS364A, LYS364B, LYS370A, LYS370B, LYS44A, LYS44B, MET165A, MET165B, MET215A, MET215B, MET297A, MET297B, MET366A, MET366B, PHE245A, PHE245B, PHE284A, PHE284B, PHE356A, PHE356B, PRO138A, PRO138B, SER142A, SER142B, SER220A, SER220B, SER379A, SER379B, THR136A, THR136B, THR222A, THR222B, THR283A, THR283B, THR345A, THR345B, THR358A, THR358B, THR378A, THR378B, THR92A, THR92B, THR96B, TRP166A, TRP166B, TYR277A, TYR277B, TYR360A, TYR360B, TYR372A, TYR372B, TYR375A, TYR375B, VAL144A, VAL144B, VAL348A, VAL348B, VAL362A, VAL362B
• A-C: ALA293A, ALA293C, GLN292A, GLN292C, GLU290A, GLU290C, HIS291A, HIS291C, ILE294A, ILE294C, LEU288A, LEU288C, LYS286A, LYS286C, MET297A, MET297C, PHE284A, PHE284C, PHE296A, PHE296C, SER295A, SER295C, THR283A, THR283C
• A-D: ALA270D, ALA274A, ALA274D, ALA278A, ALA278D, ALA293A, ALA293D, ALA299A, ALA299D, ALA302A, ALA302D, ALA308A, ALA308D, ALA315A, ALA315D, ALA316A, ALA316D, ALA332A, ALA332D, ALA334A, ALA334D, ALA336A, ALA336D, ALA387A, ALA387D, ARG269A, ARG269D, ARG309A, ARG309D, ARG314A, ARG314D, ARG323A, ARG323D, ARG32A, ARG383A, ARG383D, ARG388A, ARG388D, ASN396D, ASP272A, ASP272D, ASP338A, ASP338D, ASP392A, ASP392D, GLN19A, GLN19D, GLN20A, GLN20D, GLN268A, GLN268D, GLN292A, GLN292D, GLN313A, GLN313D, GLN380A, GLN380D, GLN382A, GLN382D, GLU15A, GLU15D, GLU18A, GLU18D, GLU273A, GLU273D, GLU290A, GLU290D, GLU300A, GLU300D, GLU306A, GLU306D, GLU318A, GLU318D, GLU389A, GLU389D, GLY11A, GLY11D, GLY337A, HIS291A, HIS291D, HIS390A, HIS390D, ILE294A, ILE294D, ILE331A, ILE331D, ILE339A, ILE339D, ILE381A, ILE381D, ILE385A, ILE385D, ILE391A, ILE391D, LEU10A, LEU10D, LEU271A, LEU271D, LEU279A, LEU279D, LEU287A, LEU287D, LEU288A, LEU288D, LEU298A, LEU298D, LEU307A, LEU307D, LEU384A, LEU384D, LEU82A, LEU82D, LYS21A, LYS21D, LYS276A, LYS276D, LYS304A, LYS304D, LYS333A, LYS333D, LYS393A, LYS393D, LYS395A, LYS395D, MET297A, MET297D, MET301A, MET301D, MET303A, MET303D, MET310A, MET310D, PHE12A, PHE12D, PHE14A, PHE14D, PHE16A, PHE16D, PHE296A, PHE296D, PHE335A, PHE335D, PHE78A, PHE78D, SER13A, SER13D, SER295A, SER295D, SER311A, SER311D, SER321A, SER321D, SER330A, SER330D, SER379A, SER379D, THR17A, THR17D, THR275A, THR275D, THR378A, THR378D, TRP317A, TRP317D, TYR277A, TYR312A, TYR312D, TYR327A, TYR327D, TYR328A, TYR328D, TYR394A, TYR394D, TYR89A, TYR89D, VAL289A, VAL289D, VAL305A, VAL305D, VAL386A, VAL386D
• A-R: ASN152R, LYS395A
• A-S: ALA17S, ARG21S, ARG323A, ASN191A, ASP32S, ASP392A, GLY33S, ILE20S, LYS19S, LYS393A, LYS395A, PRO230S, PRO24S, TYR394A, VAL18S, VAL34S
• B-C: ALA270C, ALA274B, ALA274C, ALA278B, ALA278C, ALA293B, ALA293C, ALA299B, ALA299C, ALA302B, ALA302C, ALA308B, ALA308C, ALA315B, ALA315C, ALA316B, ALA316C, ALA332B, ALA332C, ALA334B, ALA334C, ALA336B, ALA336C, ALA387B, ALA387C, ARG269B, ARG269C, ARG309B, ARG309C, ARG314B, ARG314C, ARG323B, ARG323C, ARG32B, ARG383B, ARG383C, ARG388B, ARG388C, ASN396B, ASN396C, ASP272B, ASP272C, ASP338B, ASP338C, ASP392B, ASP392C, GLN19B, GLN19C, GLN20B, GLN20C, GLN268B, GLN268C, GLN292B, GLN292C, GLN313B, GLN313C, GLN380B, GLN380C, GLN382B, GLN382C, GLU15B, GLU15C, GLU18B, GLU18C, GLU273B, GLU273C, GLU290B, GLU290C, GLU300B, GLU300C, GLU306B, GLU306C, GLU318B, GLU318C, GLU389B, GLU389C, GLY11B, GLY11C, GLY337B, GLY337C, GLY9C, HIS291B, HIS291C, HIS390B, HIS390C, ILE294B, ILE294C, ILE331B, ILE331C, ILE339B, ILE339C, ILE350B, ILE381B, ILE381C, ILE385B, ILE385C, ILE391B, ILE391C, LEU10B, LEU10C, LEU271B, LEU271C, LEU279B, LEU279C, LEU287B, LEU287C, LEU288B, LEU288C, LEU298B, LEU298C, LEU307B, LEU307C, LEU384B, LEU384C, LEU82B, LEU82C, LYS21B, LYS21C, LYS276B, LYS276C, LYS304B, LYS304C, LYS333B, LYS333C, LYS393B, LYS393C, LYS395B, LYS395C, MET297B, MET297C, MET301B, MET301C, MET303B, MET303C, MET310B, MET310C, PHE12B, PHE12C, PHE14B, PHE14C, PHE16B, PHE16C, PHE296B, PHE296C, PHE335B, PHE335C, PHE78B, PHE78C, SER13B, SER13C, SER295B, SER295C, SER311B, SER311C, SER321B, SER321C, SER330B, SER330C, SER379B, SER379C, THR17B, THR17C, THR275B, THR275C, THR378B, THR378C, TRP317B, TRP317C, TYR277B, TYR277C, TYR312B, TYR312C, TYR327B, TYR327C, TYR328B, TYR328C, TYR394B, TYR394C, TYR89B, TYR89C, VAL289B, VAL289C, VAL305B, VAL305C, VAL386B, VAL386C
• B-D: ALA293B, ALA293D, GLN292B, GLN292D, GLU290B, GLU290D, HIS291B, HIS291D, ILE294B, ILE294D, LEU288B, LEU288D, LYS286B, LYS286D, MET297B, MET297D, PHE284B, PHE284D, PHE296B, PHE296D, SER295B, SER295D, THR283D
• C-D: ALA140C, ALA140D, ALA145C, ALA145D, ALA293C, ALA293D, ALA344C, ALA344D, ALA347C, ALA347D, ALA369C, ALA369D, ARG210C, ARG210D, ARG218C, ARG218D, ARG223C, ARG223D, ARG281C, ARG281D, ARG367C, ARG367D, ARG383C, ARG383D, ASN214C, ASN214D, ASN341C, ASN341D, ASN354C, ASN354D, ASN357C, ASN357D, ASP143C, ASP143D, ASP338C, ASP338D, ASP346C, ASP346D, ASP368C, ASP368D, GLN217C, GLN217D, GLN292C, GLN292D, GLN342C, GLN342D, GLN349C, GLN349D, GLN373C, GLN373D, GLN380C, GLN380D, GLN382C, GLU137C, GLU137D, GLU212C, GLU212D, GLU359C, GLU359D, GLU363C, GLU363D, GLY139C, GLY139D, GLY141C, GLY141D, GLY146C, GLY146D, GLY216C, GLY216D, GLY285C, GLY285D, GLY352C, GLY352D, GLY353C, GLY353D, GLY355C, GLY355D, GLY377C, HIS291C, HIS291D, ILE294C, ILE294D, ILE350C, ILE350D, ILE371C, ILE371D, ILE374C, ILE374D, ILE381C, ILE381D, LEU213C, LEU213D, LEU288C, LEU288D, LEU351C, LEU351D, LEU365D, LEU384C, LEU384D, LYS211C, LYS211D, LYS282C, LYS282D, LYS286C, LYS286D, LYS333C, LYS364C, LYS364D, LYS370C, LYS370D, LYS44C, LYS44D, MET165C, MET165D, MET215C, MET215D, MET249C, MET297C, MET297D, MET366C, MET366D, PHE245C, PHE245D, PHE284C, PHE284D, PHE356C, PHE356D, PRO138C, PRO138D, SER142C, SER142D, SER220C, SER220D, SER379C, SER379D, THR136C, THR136D, THR222C, THR222D, THR283C, THR283D, THR345C, THR345D, THR358C, THR358D, THR378C, THR378D, THR92C, TRP166C, TRP166D, TYR277C, TYR277D, TYR360C, TYR360D, TYR372C, TYR372D, TYR375C, TYR375D, VAL144C, VAL144D, VAL348C, VAL348D, VAL362C, VAL362D
• C-R: ALA250R, ALA254R, ALA283R, ALA305R, ARG181C, ARG210C, ARG223C, ARG223R, ARG249R, ASN161C, ASN259R, ASP183C, ASP185C, ASP229C, ASP253R, ASP302R, GLN163C, GLN207C, GLN262R, GLN285R, GLN309R, GLU137C, GLU212C, GLU228C, GLU304R, GLY139C, GLY146C, GLY162C, GLY205C, GLY209C, GLY224C, GLY224R, GLY282R, HIS286R, ILE208C, ILE225C, ILE284R, LEU213C, LYS148C, LYS150C, LYS164C, LYS211C, LYS226R, LYS301R, MET165C, PHE227C, PHE256R, PRO138C, PRO184C, PRO186C, PRO303R, PRO306R, SER281R, THR266R, TRP166C, VAL226C, VAL252R
• D-R: ALA278D, ALA283R, ALA288R, ARG249R, ARG281D, ASN354D, ASN357D, GLN262R, GLN265R, GLN285R, GLN309R, GLU273D, GLU280D, GLU359D, GLY267R, HIS286R, ILE284R, LEU279D, LEU287R, LEU288D, LEU351D, LYS276D, LYS282D, LYS291R, PRO361D, THR266R, THR358D, TYR277D, TYR360D, VAL362D
• D-S: ALA17S, ALA193S, ALA201S, ALA25D, ALA27D, ALA31D, ALA56D, ALA78S, ALA80D, ALA80S, ARG191S, ARG28D, ARG32D, ARG55D, ARG76S, ASN197S, ASP15S, ASP79D, GLN19D, GLN20D, GLN24D, GLN70S, GLN72S, GLU15D, GLU189S, GLU18D, GLU22D, GLU33D, GLU34D, GLU43S, GLU58D, GLU68D, GLU73S, GLY60D, GLY71D, GLY72D, GLY74D, HIS36S, ILE198S, ILE206S, ILE35D, ILE75S, ILE83D, LEU195S, LEU279D, LEU59D, LEU61D, LEU73D, LEU75D, LEU79S, LEU82D, LYS19S, LYS200S, LYS202S, LYS203S, LYS21D, LYS276D, LYS29D, LYS35S, MET199S, MET38S, MET62D, PHE16D, PHE23D, PHE30D, PRO190S, PRO196S, SER37S, THR17D, THR194S, THR26D, THR64D, THR74S, THR77S, TRP57D, TYR16S, TYR192S
• R-S: ALA105S, ALA109S, ALA112R, ALA114R, ALA124R, ALA125R, ALA126S, ALA130R, ALA139S, ALA150R, ALA153R, ALA165S, ALA175R, ALA179S, ALA247S, ALA298R, ALA311R, ALA317R, ARG106S, ARG122R, ARG12S, ARG146R, ARG164S, ARG169R, ARG174S, ARG21S, ARG26S, ASN118R, ASN132S, ASN152R, ASN39R, ASP128S, ASP129S, ASP130S, ASP134R, ASP142R, ASP143S, ASP15S, ASP160R, ASP167S, ASP174R, ASP201R, ASP229S, ASP244S, ASP292R, ASP312R, CYS131S, CYS155R, CYS159R, GLN103S, GLN125S, GLN133S, GLN136S, GLN146S, GLN202R, GLU128R, GLU156S, GLU161R, GLU163S, GLU171S, GLU195R, GLU198R, GLU228S, GLU243S, GLU27R, GLU325R, GLU328R, GLU90R, GLY100S, GLY116R, GLY135S, GLY140S, GLY147S, GLY151R, GLY168S, GLY169S, GLY170R, GLY28S, GLY314R, GLY86R, HIS36S, ILE127S, ILE132R, ILE136R, ILE148R, ILE14S, ILE166S, ILE196R, ILE20S, ILE225S, ILE276R, ILE296R, ILE299R, ILE315R, ILE329R, ILE36R, LEU102S, LEU119R, LEU120R, LEU127R, LEU142S, LEU154R, LEU160S, LEU170S, LEU173S, LEU175S, LEU177S, LEU200R, LEU204R, LEU222S, LEU237R, LEU241R, LEU245S, LEU249S, LEU274R, LEU330R, LEU87R, LEU88R, LEU97R, LYS117R, LYS11S, LYS124S, LYS126R, LYS139R, LYS158R, LYS159S, LYS161S, LYS162R, LYS164R, LYS176S, LYS19S, LYS203R, LYS221S, LYS248S, LYS250S, LYS291R, LYS321R, LYS331R, LYS332R, LYS333R, LYS85R, MET137S, MET326R, PHE115R, PHE141S, PHE144R, PHE149S, PHE166R, PHE173R, PRO101S, PRO121R, PRO131R, PRO145S, PRO178S, PRO230S, PRO231S, PRO324R, PRO35R, PRO89R, PRO94R, SER113R, SER133R, SER167R, SER172R, SER197R, SER220S, SER223S, SER226S, THR134S, THR138S, THR143R, THR147R, THR148S, THR156R, THR171R, THR172S, THR182S, THR205R, THR219S, THR241S, THR242S, THR27S, THR295R, THR31S, THR327R, THR93R, TRP144S, TRP199R, TYR149R, TYR16S, TYR313R, VAL123R, VAL129R, VAL13S, VAL145R, VAL157R, VAL162S, VAL163R, VAL165R, VAL180S, VAL18S, VAL194R, VAL217R, VAL224S, VAL227S, VAL22S, VAL246S, VAL297R, VAL29S, VAL30S, VAL322R, VAL323R, VAL34S