2EQ8

crystal structure of lipoamide dehydrogenase from thermus thermophilus hb8 with psbdp

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 49
  • Norm. En. per Res.: -4.9146
• Hub Node: A(2)

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	-180.0861	13.5357	-1154.04	-1320.5903	332	44	28	46030	5	86	95
A-C	-15.5304	-117.4739	-107.811	-240.8153	49	5	0	4081	6	17	14
B-C	-13.2778	-0.5088	-52.7583	-66.5449	30	1	1	2094	0	11	9
B-D	0.0	-17.4595	-14.726	-32.1855	30	0	0	1008	1	34	25
D-E	-169.1195	8.7038	-1161.31	-1321.7257	329	45	28	46122	6	85	96
D-F	-17.719	-98.135	-104.885	-220.739	48	3	0	4063	7	17	14
E-F	-13.2425	-2.0034	-48.8534	-64.0994	29	1	1	2024	0	11	9

Interface residues

• A-B: ALA24A, ALA24B, ALA25A, ALA25B, ALA28A, ALA28B, ALA29B, ALA322A, ALA322B, ALA325A, ALA325B, ALA333A, ALA333B, ALA342A, ALA342B, ALA359A, ALA359B, ALA383A, ALA383B, ALA384A, ALA384B, ALA388A, ALA388B, ALA394A, ALA394B, ALA419A, ALA419B, ALA424A, ALA424B, ALA426A, ALA426B, ALA427A, ALA427B, ALA429A, ALA429B, ALA434A, ALA434B, ALA440A, ALA440B, ALA457A, ALA457B, ALA459A, ALA459B, ALA464A, ALA464B, ALA57A, ALA57B, ALA61A, ALA61B, ALA62A, ALA62B, ALA71A, ALA71B, ALA78A, ALA78B, ARG27A, ARG27B, ARG327A, ARG327B, ARG387A, ARG387B, ARG92A, ARG92B, ASN110A, ASN110B, ASN469A, ASN469B, ASP344A, ASP344B, ASP438A, ASP438B, ASP84A, ASP84B, CYS47A, CYS47B, CYS52A, CYS52B, GLN30A, GLN30B, GLN347A, GLN347B, GLN418A, GLN418B, GLN463A, GLN463B, GLN94A, GLN94B, GLU190A, GLU190B, GLU328A, GLU328B, GLU334A, GLU334B, GLU357A, GLU357B, GLU421A, GLU421B, GLU425A, GLU425B, GLU431A, GLU431B, GLU451A, GLU451B, GLU455A, GLU455B, GLU458A, GLU458B, GLU63A, GLU63B, GLU72A, GLU72B, GLU82A, GLU82B, GLY102A, GLY102B, GLY109A, GLY109B, GLY111A, GLY111B, GLY360A, GLY360B, GLY386A, GLY386B, GLY392A, GLY392B, GLY393A, GLY393B, GLY420A, GLY420B, GLY433A, GLY433B, GLY51A, GLY51B, GLY73A, GLY73B, GLY75A, GLY75B, GLY89A, GLY89B, GLY90A, GLY90B, HIS23A, HIS23B, HIS323A, HIS323B, HIS444A, HIS444B, HIS446A, HIS446B, HIS461A, HIS461B, HIS466A, HIS466B, HIS60A, HIS60B, HIS66A, HIS66B, HIS67A, HIS67B, ILE26A, ILE26B, ILE331A, ILE331B, ILE423A, ILE423B, ILE465A, ILE465B, ILE467A, ILE467B, ILE53A, ILE53B, LEU106A, LEU106B, LEU107A, LEU107B, LEU198B, LEU31A, LEU31B, LEU321A, LEU321B, LEU330A, LEU330B, LEU382A, LEU382B, LEU389A, LEU389B, LEU391A, LEU391B, LEU408A, LEU408B, LEU409A, LEU409B, LEU422A, LEU422B, LEU428A, LEU428B, LEU430A, LEU430B, LEU439A, LEU439B, LEU441A, LEU441B, LEU449A, LEU449B, LEU453A, LEU453B, LEU468A, LEU468B, LEU48A, LEU48B, LEU58A, LEU58B, LEU59A, LEU59B, LEU65A, LEU65B, LEU68A, LEU68B, LEU76A, LEU76B, LEU83A, LEU83B, LEU85A, LEU85B, LEU88A, LEU88B, LEU99A, LEU99B, LYS108A, LYS108B, LYS324A, LYS324B, LYS339A, LYS339B, LYS462A, LYS462B, LYS56A, LYS56B, LYS69A, LYS77A, LYS77B, LYS80A, LYS80B, LYS86A, LYS86B, LYS87A, LYS87B, LYS97A, LYS97B, LYS98A, LYS98B, MET326A, MET326B, MET432A, MET432B, MET454A, MET454B, PHE343A, PHE343B, PHE380A, PHE380B, PHE74A, PHE74B, PRO19A, PRO19B, PRO349A, PRO349B, PRO417A, PRO417B, PRO445A, PRO445B, PRO447A, PRO447B, PRO54A, PRO54B, PRO81A, PRO81B, SER341A, SER341B, SER350A, SER350B, SER385A, SER385B, SER450A, SER450B, SER452A, SER452B, THR100A, THR100B, THR105A, THR105B, THR354A, THR354B, THR390A, THR390B, THR435A, THR435B, THR437A, THR437B, THR442A, THR442B, THR448A, THR448B, THR55A, THR55B, THR64A, THR64B, TRP91A, TRP91B, TYR22A, TYR22B, TYR345A, TYR345B, TYR353A, TYR353B, VAL103A, VAL103B, VAL348A, VAL348B, VAL351A, VAL351B, VAL352A, VAL361A, VAL361B, VAL443A, VAL443B, VAL70A, VAL70B, VAL95A, VAL95B, VAL96A, VAL96B
• A-C: ALA131C, ALA132C, ALA139C, ALA155C, ALA300A, ALA342A, ALA427A, ALA429A, ALA434A, ARG136C, ARG137C, ARG140C, ARG157C, ARG27A, ARG301A, ARG327A, ASN299A, ASN335A, ASP340A, ASP344A, ASP438A, GLN347A, GLU141C, GLU334A, GLU431A, GLY143C, GLY433A, ILE135C, ILE331A, LEU142C, LEU146C, LEU154C, LEU31A, LEU330A, LEU408A, LEU409A, LEU410A, LEU428A, LEU430A, LYS339A, MET432A, PHE343A, PRO130C, PRO133C, SER134C, SER341A, THR435A, TYR345A, TYR373A
• B-C: ALA131C, ALA132C, ALA434B, ALA440B, ARG136C, ARG137C, ARG157C, ARG164C, ASP407B, ASP438B, GLN463B, GLU160C, GLU405B, GLY433B, HIS461B, ILE135C, LEU138C, LEU154C, LEU408B, LEU436B, LEU439B, LEU441B, MET432B, PRO133C, SER134C, THR406B, THR435B, THR437B, THR442B, VAL443B
• B-D: ALA256B, ARG178D, ARG235D, ARG293B, ARG297B, ARG370B, ASN299B, ASP248D, ASP291B, GLN214B, GLU244D, GLU259D, GLU261D, GLU262D, GLU292B, GLY260D, HIS251D, LYS239B, LYS245D, LYS246D, LYS247D, LYS289B, MET208B, PRO318B, SER305B, TYR207B, TYR243D, VAL263D, VAL264D, VAL265D
• D-E: ALA24D, ALA24E, ALA25D, ALA25E, ALA28D, ALA28E, ALA29E, ALA322D, ALA322E, ALA325D, ALA325E, ALA333D, ALA333E, ALA342D, ALA342E, ALA359D, ALA359E, ALA383D, ALA383E, ALA384D, ALA384E, ALA388D, ALA388E, ALA394D, ALA394E, ALA419D, ALA419E, ALA424D, ALA424E, ALA426D, ALA426E, ALA427D, ALA427E, ALA429D, ALA429E, ALA434D, ALA434E, ALA440D, ALA440E, ALA457D, ALA459D, ALA459E, ALA464D, ALA464E, ALA57D, ALA57E, ALA61D, ALA61E, ALA62D, ALA62E, ALA71D, ALA71E, ALA78D, ALA78E, ARG27D, ARG27E, ARG327D, ARG327E, ARG387D, ARG387E, ARG92D, ARG92E, ASN110D, ASN110E, ASN469D, ASN469E, ASP344D, ASP344E, ASP438D, ASP438E, ASP84D, ASP84E, CYS47D, CYS47E, CYS52D, CYS52E, GLN30D, GLN30E, GLN347D, GLN347E, GLN418D, GLN418E, GLN463D, GLN463E, GLN94D, GLN94E, GLU190D, GLU190E, GLU328D, GLU328E, GLU334D, GLU334E, GLU357D, GLU357E, GLU421D, GLU421E, GLU425D, GLU425E, GLU431D, GLU431E, GLU451D, GLU451E, GLU455D, GLU455E, GLU458D, GLU458E, GLU63D, GLU63E, GLU72D, GLU72E, GLU82D, GLU82E, GLY102D, GLY102E, GLY109D, GLY109E, GLY111D, GLY111E, GLY360D, GLY360E, GLY386D, GLY386E, GLY392D, GLY392E, GLY393D, GLY393E, GLY420D, GLY420E, GLY433D, GLY433E, GLY51D, GLY51E, GLY73D, GLY73E, GLY75D, GLY75E, GLY89D, GLY89E, GLY90D, GLY90E, HIS23D, HIS23E, HIS323D, HIS323E, HIS444D, HIS444E, HIS446D, HIS446E, HIS461D, HIS461E, HIS466D, HIS466E, HIS60D, HIS60E, HIS66D, HIS66E, HIS67D, HIS67E, ILE26D, ILE26E, ILE331D, ILE331E, ILE423D, ILE423E, ILE465D, ILE465E, ILE467D, ILE467E, ILE53D, ILE53E, LEU106D, LEU106E, LEU107D, LEU107E, LEU31D, LEU31E, LEU321D, LEU321E, LEU330D, LEU330E, LEU382D, LEU382E, LEU389D, LEU389E, LEU391D, LEU391E, LEU408D, LEU408E, LEU409D, LEU409E, LEU422D, LEU422E, LEU428D, LEU428E, LEU430D, LEU430E, LEU439D, LEU439E, LEU441D, LEU441E, LEU449D, LEU449E, LEU453D, LEU453E, LEU468D, LEU468E, LEU48D, LEU48E, LEU58D, LEU58E, LEU59D, LEU59E, LEU65D, LEU65E, LEU68D, LEU68E, LEU76D, LEU76E, LEU83D, LEU83E, LEU85D, LEU85E, LEU88D, LEU88E, LEU99D, LEU99E, LYS108D, LYS108E, LYS324D, LYS324E, LYS339D, LYS339E, LYS462D, LYS462E, LYS56D, LYS56E, LYS69D, LYS77D, LYS77E, LYS80D, LYS80E, LYS86D, LYS86E, LYS87D, LYS87E, LYS97D, LYS97E, LYS98D, LYS98E, MET326D, MET326E, MET432D, MET432E, MET454D, MET454E, PHE343D, PHE343E, PHE380D, PHE380E, PHE74D, PHE74E, PRO19D, PRO19E, PRO349D, PRO349E, PRO417D, PRO417E, PRO445D, PRO445E, PRO447D, PRO447E, PRO54D, PRO54E, PRO81D, PRO81E, SER341D, SER341E, SER350D, SER350E, SER385D, SER385E, SER450D, SER450E, SER452D, SER452E, THR100D, THR100E, THR105D, THR105E, THR354D, THR354E, THR390D, THR390E, THR435D, THR435E, THR437D, THR437E, THR442D, THR442E, THR448D, THR448E, THR55D, THR55E, THR64D, THR64E, TRP91D, TRP91E, TYR22D, TYR22E, TYR345D, TYR345E, TYR353D, TYR353E, VAL103D, VAL103E, VAL348D, VAL348E, VAL351D, VAL351E, VAL361D, VAL361E, VAL443D, VAL443E, VAL70D, VAL70E, VAL95D, VAL95E, VAL96D, VAL96E
• D-F: ALA131F, ALA132F, ALA155F, ALA300D, ALA342D, ALA427D, ALA429D, ALA434D, ARG136F, ARG137F, ARG140F, ARG157F, ARG27D, ARG301D, ARG327D, ASN299D, ASN335D, ASP340D, ASP344D, ASP438D, GLN347D, GLU141F, GLU334D, GLU431D, GLY143F, GLY433D, ILE135F, ILE331D, LEU146F, LEU154F, LEU330D, LEU408D, LEU409D, LEU410D, LEU428D, LEU430D, LYS339D, MET302D, MET432D, PHE343D, PRO130F, PRO133F, SER134F, SER341D, THR406D, THR435D, TYR345D, TYR373D
• E-F: ALA131F, ALA132F, ALA434E, ALA440E, ARG136F, ARG137F, ARG157F, ASP407E, ASP438E, GLN463E, GLU141F, GLU160F, GLU161F, GLU405E, GLY433E, HIS461E, ILE135F, LEU138F, LEU436E, LEU439E, LEU441E, MET432E, PRO133F, SER134F, THR406E, THR435E, THR437E, THR442E, VAL443E