1BPW

betaine aldehyde dehydrogenase from cod liver

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 298
  • Norm. En. per Res.: -3.8404
• 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	-227.2686	24.3469	-941.522	-1144.4437	298	35	27	42194	0	58	68
A-C	-29.6129	-27.1982	-187.4	-244.2111	109	14	0	8507	4	36	29
A-D	-67.9536	-35.1948	-245.723	-348.8713	108	17	6	10498	4	16	29
B-C	-78.8666	-38.8401	-247.17	-364.8767	108	17	6	10450	4	16	28
B-D	-40.0214	35.5732	-184.567	-189.0152	109	23	2	9210	4	40	29
C-D	-193.5495	23.0515	-879.943	-1050.441	295	32	30	41345	0	56	67

Interface residues

• A-B: ALA147A, ALA147B, ALA149A, ALA149B, ALA235A, ALA235B, ALA254A, ALA254B, ALA281A, ALA281B, ALA285A, ALA285B, ALA288A, ALA288B, ALA323A, ALA323B, ALA429A, ALA429B, ALA440A, ALA440B, ALA444A, ALA444B, ALA445A, ALA445B, ALA449A, ALA449B, ALA481A, ALA481B, ARG152A, ARG152B, ARG153A, ARG153B, ARG283A, ARG283B, ARG320A, ARG320B, ARG335A, ARG335B, ARG435A, ARG435B, ARG442A, ARG442B, ARG476A, ARG476B, ASN280A, ASN280B, ASN289A, ASN289B, ASN422A, ASN422B, ASN446A, ASN446B, ASN455A, ASN455B, ASP484A, ASP484B, ASP498A, ASP498B, ASP500A, ASP500B, CYS452A, CYS452B, GLN124A, GLN124B, GLN139A, GLN139B, GLN142A, GLN142B, GLN293A, GLN293B, GLN480A, GLN480B, GLN488A, GLN488B, GLN68A, GLN68B, GLU114A, GLU114B, GLU154A, GLU154B, GLU251A, GLU251B, GLU277A, GLU277B, GLU279A, GLU279B, GLU316A, GLU316B, GLU448A, GLU448B, GLU463A, GLU463B, GLU477B, GLU495A, GLU495B, GLY246A, GLY246B, GLY284A, GLY284B, GLY294A, GLY294B, GLY427A, GLY427B, GLY431A, GLY431B, GLY450A, GLY450B, GLY467A, GLY467B, GLY468A, GLY468B, GLY473A, GLY473B, GLY475A, GLY475B, GLY479A, GLY479B, GLY497A, GLY497B, HIS140A, HIS140B, HIS259A, HIS259B, HIS441A, HIS441B, ILE141A, ILE141B, ILE324A, ILE324B, ILE437A, ILE437B, ILE454A, ILE454B, ILE459A, ILE459B, ILE493A, ILE493B, LEU143A, LEU143B, LEU156A, LEU156B, LEU262A, LEU262B, LEU264A, LEU264B, LEU286A, LEU286B, LEU291A, LEU291B, LEU428A, LEU428B, LEU447A, LEU447B, LEU489A, LEU489B, LEU502A, LEU502B, LEU72A, LEU72B, LYS247A, LYS247B, LYS248A, LYS248B, LYS255A, LYS255B, LYS258A, LYS258B, LYS470A, LYS470B, LYS490A, LYS490B, LYS76A, LYS76B, MET250A, MET250B, MET252A, MET252B, MET287A, MET287B, MET336A, MET336B, MET471A, MET471B, MET496A, MET496B, PHE148A, PHE148B, PHE290A, PHE290B, PHE433A, PHE433B, PHE466A, PHE466B, PHE474A, PHE474B, PHE503A, PHE503B, PRO144A, PRO144B, PRO155A, PRO155B, PRO232A, PRO232B, PRO244B, PRO384A, PRO384B, PRO461A, PRO461B, PRO465A, PRO465B, SER253A, SER253B, SER430A, SER430B, SER458A, SER458B, SER460A, SER460B, SER472A, SER472B, SER487A, SER487B, SER501A, SER501B, THR111A, THR111B, THR113A, THR113B, THR151A, THR151B, THR245A, THR245B, THR256A, THR256B, THR292A, THR292B, THR321A, THR321B, THR332B, THR334A, THR334B, THR425A, THR425B, THR451A, THR451B, THR456A, THR456B, THR482A, THR482B, THR491A, THR491B, TYR117A, TYR117B, TYR128A, TYR128B, TYR150A, TYR150B, TYR453A, TYR453B, TYR457A, TYR457B, TYR469A, TYR469B, TYR485A, TYR485B, TYR71A, TYR71B, VAL237A, VAL237B, VAL243A, VAL243B, VAL249A, VAL249B, VAL257A, VAL257B, VAL260A, VAL260B, VAL282A, VAL282B, VAL317A, VAL317B, VAL325A, VAL325B, VAL326A, VAL432A, VAL432B, VAL443A, VAL443B, VAL462A, VAL462B, VAL464A, VAL464B, VAL492A, VAL492B, VAL494A, VAL494B, VAL499A, VAL499B
• A-C: ALA130A, ALA130C, ALA133A, ALA133C, ALA440A, ALA440C, ALA444A, ALA444C, ALA445A, ALA445C, ALA78A, ALA78C, ALA90A, ALA90C, ARG439A, ARG439C, ARG442A, ARG442C, ARG84A, ARG84C, ARG91A, ARG91C, ARG94A, ARG94C, ASN446A, ASN446C, ASP436A, ASP436C, ASP498A, CYS125A, CYS125C, GLN124A, GLN124C, GLN142A, GLN142C, GLN480A, GLN480C, GLU127A, GLU127C, GLU463A, GLU463C, GLU495A, GLU495C, GLU81A, GLU81C, GLU88A, GLU88C, GLU95A, GLU95C, GLY131A, GLY131C, GLY146A, GLY146C, GLY479A, GLY479C, GLY497A, GLY497C, GLY79A, GLY79C, HIS140A, HIS140C, HIS441A, HIS441C, ILE437A, ILE437C, ILE493A, ILE493C, ILE80A, ILE80C, LEU132A, LEU132C, LEU136A, LEU136C, LEU87A, LEU87C, MET496A, MET496C, PHE148A, PHE148C, PRO134A, PRO134C, PRO461A, PRO461C, SER137A, SER137C, SER438A, SER438C, SER83A, SER83C, THR135A, THR135C, TRP123A, TRP123C, TYR128A, TYR128C, TYR129A, TYR129C, TYR150A, TYR150C, VAL443A, VAL443C, VAL462A, VAL462C, VAL464A, VAL464C, VAL492A, VAL492C, VAL494A, VAL494C
• A-D: ALA133A, ALA133D, ALA147A, ALA147D, ALA149A, ALA149D, ALA440A, ALA440D, ALA444A, ALA444D, ALA78A, ALA78D, ARG152A, ARG152D, ARG153A, ARG153D, ARG435A, ARG435D, ARG439A, ARG439D, ARG442A, ARG442D, ARG82A, ARG82D, ASN455A, ASN455D, ASP275A, ASP275D, ASP436A, ASP436D, GLN139A, GLN139D, GLN142A, GLN142D, GLN488A, GLN488D, GLU154A, GLU154D, GLU277A, GLU277D, GLU81A, GLU81D, GLY138A, GLY138D, GLY145A, GLY145D, GLY146A, GLY146D, GLY79A, GLY79D, HIS140A, HIS140D, HIS441A, HIS441D, ILE141A, ILE141D, ILE437A, ILE437D, ILE454A, ILE454D, ILE80A, ILE80D, LEU136A, LEU136D, LEU143A, LEU143D, LEU489A, LEU489D, LYS490A, LYS490D, LYS76A, LYS76D, MET496A, MET496D, MET77A, MET77D, PHE148A, PHE148D, PHE433A, PHE433D, PRO134A, PRO134D, PRO144A, PRO144D, PRO155A, PRO155D, SER137A, SER137D, SER438A, SER438D, SER487A, SER487D, SER75A, SER75D, THR135A, THR135D, THR151A, THR151D, THR434A, THR434D, TYR150A, TYR150D, VAL432A, VAL432D, VAL492A, VAL492D, VAL494A, VAL494D
• B-C: ALA133B, ALA133C, ALA147B, ALA147C, ALA149B, ALA149C, ALA440B, ALA440C, ALA444C, ALA78B, ALA78C, ARG152B, ARG152C, ARG153B, ARG153C, ARG435B, ARG435C, ARG439B, ARG439C, ARG442B, ARG442C, ARG82B, ARG82C, ASN280B, ASN455B, ASN455C, ASP275B, ASP275C, ASP436B, ASP436C, GLN139B, GLN139C, GLN142B, GLN142C, GLN488B, GLN488C, GLU154B, GLU154C, GLU277B, GLU277C, GLU81B, GLU81C, GLY138B, GLY138C, GLY145B, GLY145C, GLY146B, GLY146C, GLY79B, GLY79C, HIS140B, HIS140C, HIS441B, HIS441C, ILE141B, ILE141C, ILE437B, ILE437C, ILE454B, ILE454C, ILE80B, ILE80C, LEU136B, LEU136C, LEU143B, LEU143C, LEU489B, LEU489C, LYS490B, LYS490C, LYS76B, LYS76C, MET496B, MET496C, MET77B, MET77C, PHE148B, PHE148C, PHE433B, PHE433C, PRO134B, PRO134C, PRO144B, PRO144C, PRO155B, PRO155C, SER137B, SER137C, SER438B, SER438C, SER487B, SER487C, SER75B, SER75C, THR135B, THR135C, THR151B, THR151C, THR434B, THR434C, TYR150B, TYR150C, VAL432B, VAL432C, VAL492B, VAL492C, VAL494B, VAL494C
• B-D: ALA130B, ALA130D, ALA133B, ALA133D, ALA440B, ALA440D, ALA444B, ALA444D, ALA445B, ALA445D, ALA78B, ALA78D, ALA90B, ALA90D, ARG439B, ARG439D, ARG442B, ARG442D, ARG84B, ARG84D, ARG91B, ARG91D, ARG94B, ARG94D, ASN446B, ASN446D, ASP436B, ASP436D, ASP498D, CYS125B, CYS125D, GLN124B, GLN124D, GLN142B, GLN142D, GLN480B, GLN480D, GLU127B, GLU127D, GLU463B, GLU463D, GLU495B, GLU495D, GLU81B, GLU81D, GLU88B, GLU88D, GLU95B, GLU95D, GLY131B, GLY131D, GLY146B, GLY146D, GLY479B, GLY479D, GLY497B, GLY497D, GLY79B, GLY79D, HIS140B, HIS140D, HIS441B, HIS441D, ILE437B, ILE437D, ILE493B, ILE493D, ILE80B, ILE80D, LEU132B, LEU132D, LEU136B, LEU136D, LEU87B, LEU87D, MET496B, MET496D, PHE148B, PHE148D, PRO134B, PRO134D, PRO461B, PRO461D, SER137B, SER137D, SER438B, SER438D, SER83B, SER83D, THR135B, THR135D, TRP123B, TRP123D, TYR128B, TYR128D, TYR129B, TYR129D, TYR150B, TYR150D, VAL443B, VAL443D, VAL462B, VAL462D, VAL464B, VAL464D, VAL492B, VAL492D, VAL494B, VAL494D
• C-D: ALA115C, ALA115D, ALA147C, ALA147D, ALA149C, ALA149D, ALA235C, ALA235D, ALA254C, ALA254D, ALA281C, ALA281D, ALA285C, ALA285D, ALA288C, ALA288D, ALA323C, ALA323D, ALA429C, ALA429D, ALA440C, ALA440D, ALA444C, ALA444D, ALA445C, ALA445D, ALA449C, ALA449D, ALA481C, ALA481D, ARG152C, ARG152D, ARG153C, ARG153D, ARG283C, ARG283D, ARG320C, ARG320D, ARG335C, ARG335D, ARG435C, ARG435D, ARG442C, ARG442D, ARG476C, ARG476D, ASN280C, ASN280D, ASN289C, ASN289D, ASN422C, ASN422D, ASN446C, ASN446D, ASN455C, ASN455D, ASP484C, ASP484D, ASP498C, ASP498D, ASP500C, ASP500D, CYS452C, CYS452D, GLN124C, GLN124D, GLN139C, GLN139D, GLN142C, GLN142D, GLN293C, GLN293D, GLN480C, GLN480D, GLN488C, GLN488D, GLU114C, GLU114D, GLU154C, GLU154D, GLU251C, GLU251D, GLU277C, GLU277D, GLU279C, GLU279D, GLU316D, GLU448C, GLU448D, GLU463C, GLU463D, GLU477D, GLU495C, GLU495D, GLY246C, GLY246D, GLY284C, GLY284D, GLY294C, GLY294D, GLY427C, GLY427D, GLY431C, GLY431D, GLY450C, GLY450D, GLY467C, GLY467D, GLY468C, GLY468D, GLY473C, GLY473D, GLY475C, GLY475D, GLY479C, GLY479D, GLY497C, GLY497D, HIS140C, HIS140D, HIS259C, HIS259D, HIS441C, HIS441D, ILE141C, ILE141D, ILE324C, ILE324D, ILE437C, ILE437D, ILE454C, ILE454D, ILE459C, ILE459D, ILE493C, ILE493D, LEU143C, LEU143D, LEU156C, LEU156D, LEU262C, LEU262D, LEU264C, LEU264D, LEU270D, LEU286C, LEU286D, LEU291C, LEU291D, LEU428C, LEU428D, LEU447C, LEU447D, LEU489C, LEU489D, LEU502C, LEU502D, LEU72D, LYS247C, LYS247D, LYS248C, LYS248D, LYS255C, LYS255D, LYS258C, LYS258D, LYS470C, LYS470D, LYS490C, LYS490D, LYS76C, LYS76D, MET250C, MET250D, MET252C, MET252D, MET287C, MET287D, MET336C, MET336D, MET471C, MET471D, MET496C, MET496D, PHE148C, PHE148D, PHE290C, PHE290D, PHE433C, PHE433D, PHE466C, PHE466D, PHE474C, PHE474D, PHE503C, PHE503D, PRO144C, PRO144D, PRO155C, PRO155D, PRO232C, PRO232D, PRO384C, PRO384D, PRO404C, PRO404D, PRO461C, PRO461D, PRO465C, PRO465D, SER253C, SER253D, SER430C, SER430D, SER458C, SER458D, SER460C, SER460D, SER472C, SER472D, SER487C, SER487D, SER501C, SER501D, THR111C, THR111D, THR113C, THR113D, THR151C, THR151D, THR256C, THR256D, THR292C, THR292D, THR321C, THR321D, THR334C, THR334D, THR425C, THR425D, THR451C, THR451D, THR456C, THR456D, THR482C, THR482D, THR491C, THR491D, TYR117C, TYR117D, TYR128C, TYR128D, TYR150C, TYR150D, TYR453C, TYR453D, TYR457C, TYR457D, TYR469C, TYR469D, TYR485C, TYR485D, TYR71C, TYR71D, VAL237C, VAL237D, VAL243C, VAL243D, VAL249C, VAL249D, VAL257C, VAL257D, VAL260C, VAL260D, VAL282C, VAL282D, VAL317C, VAL317D, VAL325C, VAL325D, VAL326D, VAL432C, VAL432D, VAL443C, VAL443D, VAL462C, VAL462D, VAL464C, VAL464D, VAL492C, VAL492D, VAL494C, VAL494D, VAL499C, VAL499D