1WNB

escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 108
  • Norm. En. per Res.: -4.2735
• 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	-109.0786	-83.3578	-268.852	-461.2885	109	14	13	10587	8	34	36
A-C	-166.8971	23.8799	-710.278	-853.2951	261	27	22	30709	0	64	85
A-D	-57.3162	-138.0739	-228.661	-424.0511	125	14	2	9117	12	50	47
B-C	-53.5526	-135.9764	-230.58	-420.109	125	12	2	9031	12	50	46
B-D	-165.2603	21.942	-714.266	-857.5843	260	33	21	30899	0	66	87
C-D	-93.3885	-92.9552	-275.189	-461.5327	108	13	12	10512	8	34	35

Interface residues

• A-B: ALA115A, ALA115B, ALA122A, ALA122B, ALA123A, ALA123B, ALA259A, ALA418A, ALA418B, ARG116A, ARG116B, ARG135A, ARG135B, ARG136A, ARG136B, ARG417A, ARG417B, ARG420A, ARG420B, ARG468A, ARG468B, ARG63A, ARG63B, ASN119A, ASN119B, ASN433A, ASN433B, ASP137A, ASP137B, ASP258A, ASP258B, ASP414A, ASP414B, CYS117A, CYS117B, GLN57A, GLN57B, GLU125A, GLU125B, GLU128A, GLU128B, GLU462A, GLU462B, GLY120A, GLY120B, GLY124A, GLY124B, GLY129A, GLY129B, GLY416A, GLY416B, GLY56A, GLY56B, HIS130A, HIS130B, HIS419A, HIS419B, HIS469A, HIS469B, HIS474A, HIS474B, ILE134A, ILE134B, LEU118A, LEU118B, LEU121A, LEU121B, LEU127A, LEU127B, LYS413A, LYS413B, LYS61A, LYS61B, MET133A, MET133B, PRO60A, PRO60B, SER132A, SER132B, SER422A, SER422B, THR131A, THR131B, THR412A, THR412B, THR465A, THR465B, THR58A, THR58B, THR59A, THR59B, TRP411A, TRP411B, TYR126A, TYR126B, VAL410A, VAL410B, VAL415A, VAL415B, VAL432A, VAL432B, VAL467A, VAL467B, VAL470A, VAL470B, VAL472A, VAL472B, VAL62A, VAL62B
• A-C: ALA122A, ALA122C, ALA123A, ALA123C, ALA227A, ALA227C, ALA237A, ALA237C, ALA263A, ALA263C, ALA407A, ALA407C, ALA418A, ALA418C, ALA423A, ALA423C, ALA53A, ALA53C, ARG135A, ARG135C, ARG136A, ARG136C, ARG218A, ARG218C, ARG242A, ARG242C, ARG420A, ARG420C, ARG424A, ARG424C, ARG468A, ARG468C, ASN119A, ASN119C, ASN397A, ASN397C, ASN400A, ASN400C, ASN433A, ASN433C, ASP137A, ASP137C, ASP401A, ASP401C, ASP49A, CYS429A, CYS429C, GLN403A, GLN403C, GLN426A, GLN426C, GLN447A, GLN447C, GLN57A, GLN57C, GLU125A, GLU125C, GLU128A, GLU128C, GLU230A, GLU230C, GLU246A, GLU246C, GLU266A, GLU266C, GLU393A, GLU393C, GLU441A, GLU441C, GLU462A, GLU462C, GLY120A, GLY120C, GLY124A, GLY124C, GLY129A, GLY129C, GLY140A, GLY140C, GLY229A, GLY229C, GLY267A, GLY267C, GLY405A, GLY405C, GLY428A, GLY428C, GLY445A, GLY445C, GLY446A, GLY446C, GLY451A, GLY451C, GLY453A, GLY453C, GLY460A, GLY460C, GLY56A, GLY56C, HIS130A, HIS130C, HIS231A, HIS231C, HIS235A, HIS235C, HIS419A, HIS419C, HIS435A, HIS435C, HIS444A, HIS444C, HIS469A, HIS469C, HIS474A, HIS474C, ILE134A, ILE134C, ILE226A, ILE226C, ILE232A, ILE232C, ILE233A, ILE233C, ILE240A, ILE240C, LEU118C, LEU121A, LEU121C, LEU127A, LEU127C, LEU139A, LEU139C, LEU222A, LEU222C, LEU247A, LEU247C, LEU406A, LEU406C, LEU425A, LEU425C, LEU438A, LEU438C, LEU449A, LEU449C, LEU458A, LEU458C, LYS216A, LYS216C, LYS241A, LYS241C, LYS413A, LYS413C, LYS448A, LYS448C, LYS454A, LYS454C, LYS473A, LYS473C, MET133A, MET133C, MET219A, MET245A, MET245C, MET437A, MET437C, MET442A, MET442C, MET456A, MET456C, MET471A, MET471C, PHE110A, PHE110C, PHE271A, PHE271C, PHE436A, PHE436C, PHE52A, PHE52C, PRO138A, PRO138C, PRO215A, PRO215C, PRO443A, PRO443C, SER132A, SER132C, SER225A, SER225C, SER234A, SER234C, SER238A, SER238C, SER239A, SER239C, SER402A, SER402C, SER408A, SER408C, SER409A, SER409C, SER422A, SER422C, SER440A, SER440C, SER450A, SER450C, SER457A, SER457C, THR131A, THR131C, THR228A, THR228C, THR236A, THR236C, THR243A, THR243C, THR412A, THR412C, THR430A, THR430C, THR434A, THR434C, THR465A, THR465C, TRP411A, TRP411C, TRP431A, TRP431C, TYR126A, TYR126C, TYR404A, TYR404C, TYR427A, TYR427C, TYR452A, TYR452C, TYR459A, TYR459C, VAL217A, VAL217C, VAL396A, VAL396C, VAL410A, VAL410C, VAL415A, VAL415C, VAL421A, VAL421C, VAL432A, VAL432C, VAL439A, VAL439C, VAL466A, VAL466C, VAL467A, VAL467C, VAL470A, VAL470C, VAL472A, VAL472C
• A-D: ALA103A, ALA103D, ALA112A, ALA112D, ALA114A, ALA114D, ALA115A, ALA115D, ALA122A, ALA122D, ALA123A, ALA123D, ALA418A, ALA418D, ALA423A, ALA423D, ALA64A, ALA64D, ALA71A, ALA71D, ARG109A, ARG109D, ARG116A, ARG116D, ARG417A, ARG417D, ARG420A, ARG420D, ARG424A, ARG424D, ASN119A, ASN119D, ASP106A, ASP106D, ASP414A, ASP414D, ASP72A, ASP72D, CYS117A, CYS117D, GLU125A, GLU125D, GLU392A, GLU392D, GLU441A, GLU441D, GLU462A, GLU462D, GLU65A, GLU65D, GLU75A, GLY113A, GLY113D, GLY120A, GLY120D, GLY124A, GLY124D, GLY129A, GLY129D, GLY416A, GLY416D, HIS130A, HIS130D, HIS419A, HIS419D, HIS474A, HIS474D, LEU118A, LEU118D, LEU121D, LEU458A, LEU458D, LEU461A, LEU461D, LEU68A, LEU68D, LYS473A, LYS473D, LYS61A, LYS61D, LYS69D, MET133A, MET133D, MET442A, MET442D, MET456A, MET456D, PHE108A, PHE108D, PHE110A, PHE110D, PHE111A, PHE111D, PRO102A, PRO102D, PRO60A, PRO60D, SER422A, SER422D, SER440A, SER440D, SER457A, SER457D, THR131A, THR131D, THR59A, THR59D, TYR459A, TYR459D, VAL105A, VAL105D, VAL107A, VAL107D, VAL415A, VAL415D, VAL421A, VAL421D, VAL439A, VAL439D, VAL470A, VAL470D, VAL472A, VAL472D, VAL62A, VAL62D
• B-C: ALA103B, ALA103C, ALA112B, ALA112C, ALA114B, ALA114C, ALA115B, ALA115C, ALA122B, ALA122C, ALA123B, ALA123C, ALA418B, ALA418C, ALA423B, ALA423C, ALA64B, ALA64C, ALA71B, ALA71C, ARG109B, ARG109C, ARG116B, ARG116C, ARG417B, ARG417C, ARG420B, ARG420C, ARG424B, ARG424C, ASN119B, ASN119C, ASP106B, ASP106C, ASP414B, ASP414C, ASP72B, ASP72C, CYS117B, CYS117C, GLU125B, GLU125C, GLU392B, GLU392C, GLU441B, GLU441C, GLU462B, GLU462C, GLU65B, GLU65C, GLU75B, GLU75C, GLY113B, GLY113C, GLY120B, GLY120C, GLY124B, GLY124C, GLY129B, GLY129C, GLY416B, GLY416C, HIS130B, HIS130C, HIS419B, HIS419C, HIS474B, HIS474C, LEU118B, LEU118C, LEU458B, LEU458C, LEU461B, LEU461C, LEU68B, LEU68C, LYS473B, LYS473C, LYS61B, LYS61C, LYS69C, MET133B, MET133C, MET442B, MET442C, MET456B, PHE108B, PHE108C, PHE110B, PHE110C, PHE111B, PHE111C, PRO102B, PRO102C, PRO60B, PRO60C, SER132C, SER422B, SER422C, SER440B, SER440C, SER457B, SER457C, THR131B, THR131C, THR59B, THR59C, TYR459B, TYR459C, VAL105B, VAL105C, VAL107B, VAL107C, VAL415B, VAL415C, VAL421B, VAL421C, VAL439B, VAL439C, VAL470B, VAL470C, VAL472B, VAL472C, VAL62B, VAL62C
• B-D: ALA122B, ALA122D, ALA123B, ALA123D, ALA227B, ALA227D, ALA237B, ALA237D, ALA263B, ALA263D, ALA407B, ALA407D, ALA418B, ALA418D, ALA423B, ALA423D, ALA53B, ALA53D, ARG135B, ARG135D, ARG136B, ARG136D, ARG218B, ARG218D, ARG242B, ARG242D, ARG420B, ARG420D, ARG424B, ARG424D, ARG468B, ARG468D, ASN119B, ASN119D, ASN397B, ASN397D, ASN400B, ASN400D, ASN433B, ASN433D, ASP137B, ASP137D, ASP401B, ASP401D, ASP49B, ASP49D, CYS429B, CYS429D, GLN403B, GLN403D, GLN426B, GLN426D, GLN447B, GLN447D, GLN57B, GLN57D, GLU125B, GLU125D, GLU128B, GLU128D, GLU230B, GLU230D, GLU246B, GLU246D, GLU266B, GLU266D, GLU393D, GLU441B, GLU441D, GLU462B, GLU462D, GLY120B, GLY120D, GLY124B, GLY124D, GLY129B, GLY129D, GLY140B, GLY140D, GLY229B, GLY229D, GLY267B, GLY267D, GLY405B, GLY405D, GLY428B, GLY428D, GLY445B, GLY445D, GLY446B, GLY446D, GLY451B, GLY451D, GLY453B, GLY453D, GLY460B, GLY460D, GLY56B, GLY56D, HIS130B, HIS130D, HIS231B, HIS231D, HIS235B, HIS235D, HIS419B, HIS419D, HIS435B, HIS435D, HIS444B, HIS444D, HIS469B, HIS469D, HIS474B, HIS474D, ILE134B, ILE134D, ILE226B, ILE226D, ILE232B, ILE232D, ILE233B, ILE233D, ILE240B, ILE240D, LEU118D, LEU121B, LEU121D, LEU127B, LEU127D, LEU139B, LEU139D, LEU222B, LEU222D, LEU247B, LEU247D, LEU406B, LEU406D, LEU425B, LEU425D, LEU438B, LEU438D, LEU449B, LEU449D, LEU458B, LEU458D, LYS216B, LYS216D, LYS241B, LYS241D, LYS413B, LYS413D, LYS448B, LYS448D, LYS454B, LYS454D, LYS473B, LYS473D, MET133B, MET133D, MET245B, MET245D, MET437B, MET437D, MET442B, MET442D, MET456B, MET456D, MET471B, MET471D, PHE110B, PHE110D, PHE271B, PHE271D, PHE436B, PHE436D, PHE52B, PHE52D, PRO138B, PRO138D, PRO215B, PRO215D, PRO443B, PRO443D, SER132B, SER132D, SER225B, SER225D, SER234B, SER234D, SER238B, SER238D, SER239B, SER239D, SER402B, SER402D, SER408B, SER408D, SER409B, SER409D, SER422B, SER422D, SER440B, SER440D, SER450B, SER450D, SER457B, SER457D, THR131B, THR131D, THR228B, THR228D, THR236B, THR236D, THR243B, THR243D, THR412B, THR412D, THR430B, THR430D, THR434B, THR434D, THR465B, THR465D, TRP411B, TRP411D, TRP431B, TRP431D, TYR126B, TYR126D, TYR404B, TYR404D, TYR427B, TYR427D, TYR452B, TYR452D, TYR459B, TYR459D, VAL217B, VAL217D, VAL396B, VAL396D, VAL410B, VAL410D, VAL415B, VAL415D, VAL421B, VAL421D, VAL432B, VAL432D, VAL439B, VAL439D, VAL466B, VAL466D, VAL467B, VAL467D, VAL470B, VAL470D, VAL472B, VAL472D
• C-D: ALA115C, ALA115D, ALA122C, ALA122D, ALA123C, ALA123D, ALA259D, ALA418C, ALA418D, ARG116C, ARG116D, ARG135C, ARG135D, ARG136C, ARG136D, ARG417C, ARG417D, ARG420C, ARG420D, ARG468C, ARG468D, ARG63C, ARG63D, ASN119C, ASN119D, ASN433C, ASN433D, ASP137C, ASP137D, ASP258C, ASP258D, ASP414C, ASP414D, CYS117C, CYS117D, GLN57C, GLN57D, GLU125C, GLU125D, GLU128C, GLU128D, GLU462C, GLU462D, GLY120C, GLY120D, GLY124C, GLY124D, GLY129C, GLY129D, GLY416C, GLY416D, GLY56C, GLY56D, HIS130C, HIS130D, HIS419C, HIS419D, HIS469C, HIS469D, HIS474C, HIS474D, ILE134C, ILE134D, LEU118C, LEU118D, LEU121C, LEU121D, LEU127C, LEU127D, LYS413C, LYS413D, LYS61C, LYS61D, MET133C, MET133D, PRO60C, PRO60D, SER132C, SER132D, SER422C, THR131C, THR131D, THR412C, THR412D, THR465C, THR465D, THR58C, THR58D, THR59C, THR59D, TRP411C, TRP411D, TYR126C, TYR126D, VAL410C, VAL410D, VAL415C, VAL415D, VAL432C, VAL432D, VAL467C, VAL467D, VAL470C, VAL470D, VAL472C, VAL472D, VAL62C, VAL62D