1OJD

human monoamine oxidase b in complex with lauryldimethylamine-n-oxide (ldao)

• Total interactions analyzed: 45
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 201
  • Norm. En. per Res.: -3.1394
• 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	-74.8044	-12.1429	-513.846	-600.7932	200	35	3	22126	2	70	71
A-H	-9.1497	-10.6967	-66.1207	-85.9672	38	11	0	3516	0	20	23
C-D	-56.7627	-32.8978	-541.359	-631.0195	201	45	3	22358	2	70	74
C-L	-8.3889	-3.558	-56.5216	-68.4686	43	2	0	2842	2	21	18
D-I	-10.1339	-3.5831	-71.8886	-85.6056	48	11	1	3611	2	24	20
D-L	0.0	1.7888	-3.566	-1.7772	10	0	0	362	0	13	10
E-F	-62.4227	-12.5427	-497.707	-572.6724	198	34	3	21875	2	69	71
F-L	0.0	0.0	-1.8214	-1.8214	12	0	0	185	0	5	3
G-H	-71.2018	-7.7372	-547.138	-626.0769	200	40	3	22502	2	69	73
I-L	-65.4986	-13.2661	-541.186	-619.9507	201	41	3	22621	2	70	71

Interface residues

• A-B: ALA175A, ALA175B, ALA346A, ALA346B, ALA349A, ALA349B, ALA353A, ALA353B, ALA35A, ALA35B, ARG233A, ARG233B, ARG282A, ARG282B, ARG288A, ARG288B, ARG350A, ARG350B, ARG354A, ARG354B, ARG360A, ARG360B, ARG36A, ARG412A, ARG412B, ASN145A, ASN145B, ASN251A, ASN251B, ASN275A, ASN275B, ASN283A, ASN283B, ASN387A, ASN387B, ASP144A, ASP144B, ASP153A, ASP153B, ASP239A, ASP239B, CYS389A, CYS389B, CYS397A, CYS397B, GLN284A, GLN284B, GLN392A, GLN392B, GLN409A, GLN409B, GLU141A, GLU141B, GLU142A, GLU142B, GLU150A, GLU150B, GLU176A, GLU176B, GLU179A, GLU179B, GLU248A, GLU248B, GLU253A, GLU253B, GLU390A, GLU390B, GLU391A, GLU391B, GLY269A, GLY269B, GLY292A, GLY292B, GLY395A, GLY395B, GLY396A, GLY396B, GLY405A, GLY405B, HIS178A, HIS178B, HIS252A, HIS252B, HIS273A, HIS273B, HIS347A, HIS347B, ILE236A, ILE236B, ILE238A, ILE238B, ILE272A, ILE272B, ILE286A, ILE286B, ILE295A, ILE295B, ILE406A, ILE406B, LEU250A, LEU250B, LEU268A, LEU268B, LEU278A, LEU278B, LEU291A, LEU291B, LEU352A, LEU352B, LEU355A, LEU355B, LEU407B, LYS149A, LYS149B, LYS154A, LYS154B, LYS271A, LYS271B, LYS348A, LYS348B, LYS351A, LYS351B, LYS386A, MET146A, MET146B, MET254A, MET254B, MET270A, MET270B, MET280A, MET280B, MET281A, MET281B, MET285A, MET285B, PHE274A, PHE274B, PRO234A, PRO234B, PRO265A, PRO265B, PRO266A, PRO266B, PRO276A, PRO276B, PRO277A, PRO277B, PRO279A, PRO279B, PRO290A, PRO290B, PRO403A, PRO403B, PRO404A, PRO404B, SER181A, SER181B, SER293A, SER293B, SER394A, SER394B, THR147A, THR147B, THR174A, THR174B, THR177A, THR177B, THR249A, THR249B, THR267A, THR267B, THR287A, THR287B, THR399A, THR399B, THR400A, THR400B, THR408A, THR408B, TRP388A, TRP388B, TYR237A, TYR237B, TYR393A, TYR393B, TYR401A, TYR401B, TYR410A, TYR410B, VAL173A, VAL173B, VAL180A, VAL180B, VAL235A, VAL235B, VAL289A, VAL289B, VAL294A, VAL294B, VAL413B
• A-H: ALA369H, ALA377H, ARG360H, ARG47A, ASN48A, ASP37A, CYS365H, GLN49A, GLU358H, GLU359H, GLU366H, GLU376H, GLU379H, GLU384A, HIS382A, LEU361H, LEU364H, LEU367H, LEU375H, LEU378H, LEU46A, LYS302H, LYS357A, LYS357H, LYS362H, LYS363H, LYS370H, LYS50A, LYS52A, PRO380H, TYR301H, TYR337A, TYR383A, TYR383H, TYR44A, VAL299H, VAL381A, VAL51A
• C-D: ALA175C, ALA175D, ALA346C, ALA346D, ALA349C, ALA349D, ALA353C, ALA353D, ALA35C, ALA35D, ARG233C, ARG233D, ARG282C, ARG282D, ARG288C, ARG288D, ARG350C, ARG350D, ARG354C, ARG354D, ARG360C, ARG360D, ARG36C, ARG36D, ARG412C, ARG412D, ASN145C, ASN145D, ASN251C, ASN251D, ASN275C, ASN275D, ASN283C, ASN283D, ASN387C, ASN387D, ASP144C, ASP144D, ASP153C, ASP153D, ASP239C, ASP239D, CYS389C, CYS389D, CYS397C, CYS397D, GLN284C, GLN284D, GLN392C, GLN392D, GLN409C, GLN409D, GLU141C, GLU141D, GLU142C, GLU142D, GLU150C, GLU150D, GLU176C, GLU176D, GLU179C, GLU179D, GLU248C, GLU248D, GLU253C, GLU253D, GLU390C, GLU390D, GLU391C, GLU391D, GLY269C, GLY269D, GLY292C, GLY292D, GLY395C, GLY395D, GLY396C, GLY396D, GLY405C, GLY405D, HIS178C, HIS178D, HIS252C, HIS252D, HIS273C, HIS273D, HIS347C, HIS347D, ILE236C, ILE236D, ILE238C, ILE238D, ILE272C, ILE272D, ILE286C, ILE286D, ILE295C, ILE295D, ILE406C, ILE406D, LEU250C, LEU250D, LEU268C, LEU268D, LEU278C, LEU278D, LEU291C, LEU291D, LEU352C, LEU352D, LEU355C, LEU355D, LEU407D, LYS149C, LYS149D, LYS154C, LYS154D, LYS271C, LYS271D, LYS348C, LYS348D, LYS351C, LYS351D, MET146C, MET146D, MET148C, MET254C, MET254D, MET270C, MET270D, MET280C, MET280D, MET281C, MET281D, MET285C, MET285D, PHE274C, PHE274D, PRO234C, PRO234D, PRO265C, PRO265D, PRO266C, PRO266D, PRO276C, PRO276D, PRO277C, PRO277D, PRO279C, PRO279D, PRO290C, PRO290D, PRO403C, PRO403D, PRO404C, PRO404D, SER181C, SER181D, SER293C, SER293D, SER394C, SER394D, THR147C, THR147D, THR174C, THR174D, THR177C, THR177D, THR249C, THR249D, THR267C, THR267D, THR287C, THR287D, THR399C, THR399D, THR400C, THR400D, THR408C, THR408D, TRP388C, TRP388D, TYR237C, TYR237D, TYR393C, TYR393D, TYR401C, TYR401D, TYR410C, TYR410D, VAL173C, VAL173D, VAL180C, VAL180D, VAL235C, VAL235D, VAL289C, VAL289D, VAL294C, VAL294D, VAL413D
• C-L: ALA133C, ALA137C, ALA140C, ALA369L, ALA377L, ARG127C, ARG412C, ASP124C, ASP132C, CYS365L, GLU128C, GLU141C, GLU142C, GLU366L, GLU376L, GLU379L, GLY126C, GLY373L, GLY94L, HIS91L, ILE129C, LEU139C, LEU367L, LEU372L, LEU375L, LEU378L, LYS136C, LYS154C, LYS190C, LYS309L, LYS362L, LYS370L, LYS95L, MET125C, PRO130C, PRO134C, PRO138C, SER131C, SER374L, SER96L, TRP143C, TYR368L, VAL371L
• D-I: ALA133I, ALA137I, ALA140I, ALA369D, ALA377D, ARG127I, ARG412I, ARG494I, ASP124I, ASP132I, CYS365D, GLU128I, GLU141I, GLU142I, GLU366D, GLU376D, GLU379D, GLY126I, GLY373D, GLY94D, HIS91D, ILE129I, LEU139I, LEU367D, LEU372D, LEU375D, LEU378D, LYS136I, LYS154I, LYS190I, LYS308D, LYS309D, LYS362D, LYS370D, LYS95D, MET125I, PHE305D, PRO130I, PRO134I, PRO138I, SER131I, SER374D, SER96D, TRP107D, TRP135I, TRP143I, TYR368D, VAL371D
• D-L: GLN163D, GLN163L, GLU159D, GLU159L, GLU320D, GLU320L, GLU321D, GLU321L, LYS93D, LYS93L
• E-F: ALA175E, ALA175F, ALA346E, ALA346F, ALA349E, ALA349F, ALA353E, ALA353F, ALA35E, ALA35F, ARG233E, ARG233F, ARG282E, ARG282F, ARG288E, ARG288F, ARG350E, ARG350F, ARG354E, ARG354F, ARG360E, ARG360F, ARG412E, ARG412F, ASN145E, ASN145F, ASN251E, ASN251F, ASN275E, ASN275F, ASN283E, ASN283F, ASN387E, ASN387F, ASP144E, ASP144F, ASP153E, ASP153F, ASP239E, ASP239F, CYS389E, CYS389F, CYS397E, CYS397F, GLN284E, GLN284F, GLN392E, GLN392F, GLN409E, GLN409F, GLU141E, GLU141F, GLU142E, GLU142F, GLU150E, GLU150F, GLU176E, GLU176F, GLU179E, GLU179F, GLU248E, GLU248F, GLU253E, GLU253F, GLU390E, GLU390F, GLU391E, GLU391F, GLY269E, GLY269F, GLY292E, GLY292F, GLY395E, GLY395F, GLY396E, GLY396F, GLY405E, GLY405F, HIS178E, HIS178F, HIS252E, HIS252F, HIS273E, HIS273F, HIS347E, HIS347F, ILE236E, ILE236F, ILE238E, ILE238F, ILE272E, ILE272F, ILE286E, ILE286F, ILE295E, ILE295F, ILE406E, ILE406F, LEU250E, LEU250F, LEU268E, LEU268F, LEU278E, LEU278F, LEU291E, LEU291F, LEU352E, LEU352F, LEU355E, LEU355F, LEU407F, LYS149E, LYS149F, LYS154E, LYS154F, LYS271E, LYS271F, LYS348E, LYS348F, LYS351E, LYS351F, MET146E, MET146F, MET254E, MET254F, MET270E, MET270F, MET280E, MET280F, MET281E, MET281F, MET285E, MET285F, PHE274E, PHE274F, PRO234E, PRO234F, PRO265E, PRO265F, PRO266E, PRO266F, PRO276E, PRO276F, PRO277E, PRO277F, PRO279E, PRO279F, PRO290E, PRO290F, PRO403E, PRO403F, PRO404E, PRO404F, SER181E, SER181F, SER293E, SER293F, SER394E, SER394F, THR147E, THR147F, THR174E, THR174F, THR177E, THR177F, THR249E, THR249F, THR267E, THR267F, THR287E, THR287F, THR399E, THR399F, THR400E, THR400F, THR408E, THR408F, TRP388E, TRP388F, TYR237E, TYR237F, TYR393E, TYR393F, TYR401E, TYR401F, TYR410E, TYR410F, VAL173E, VAL173F, VAL180E, VAL180F, VAL235E, VAL235F, VAL289E, VAL289F, VAL294E, VAL294F, VAL413F
• F-L: ARG220L, ASP471L, GLN49F, GLU78L, GLY76L, LEU224L, LEU77L, LYS302F, LYS50F, LYS73L, TYR337F, VAL470L
• G-H: ALA175G, ALA175H, ALA346G, ALA346H, ALA349G, ALA349H, ALA353G, ALA353H, ALA35G, ALA35H, ARG233G, ARG233H, ARG282G, ARG282H, ARG288G, ARG288H, ARG350G, ARG350H, ARG354G, ARG354H, ARG360G, ARG360H, ARG36H, ARG412G, ARG412H, ASN145G, ASN145H, ASN251G, ASN251H, ASN275G, ASN275H, ASN283G, ASN283H, ASN387G, ASN387H, ASP144G, ASP144H, ASP153G, ASP153H, ASP239G, ASP239H, CYS389G, CYS389H, CYS397G, CYS397H, GLN284G, GLN284H, GLN392G, GLN392H, GLN409G, GLN409H, GLU141G, GLU141H, GLU142G, GLU142H, GLU150G, GLU150H, GLU176G, GLU176H, GLU179G, GLU179H, GLU248G, GLU248H, GLU253G, GLU253H, GLU390G, GLU390H, GLU391G, GLU391H, GLY269G, GLY269H, GLY292G, GLY292H, GLY395G, GLY395H, GLY396G, GLY396H, GLY405G, GLY405H, HIS178G, HIS178H, HIS252G, HIS252H, HIS273G, HIS273H, HIS347G, HIS347H, ILE236G, ILE236H, ILE238G, ILE238H, ILE272G, ILE272H, ILE286G, ILE286H, ILE295G, ILE295H, ILE406G, ILE406H, LEU250G, LEU250H, LEU268G, LEU268H, LEU278G, LEU278H, LEU291G, LEU291H, LEU352G, LEU352H, LEU355G, LEU407H, LYS149G, LYS149H, LYS154G, LYS154H, LYS271G, LYS271H, LYS348G, LYS348H, LYS351G, LYS351H, LYS386G, MET146G, MET146H, MET148G, MET254G, MET254H, MET270G, MET270H, MET280G, MET280H, MET281G, MET281H, MET285G, MET285H, PHE274G, PHE274H, PRO234G, PRO234H, PRO265G, PRO265H, PRO266G, PRO266H, PRO276G, PRO276H, PRO277G, PRO277H, PRO279G, PRO279H, PRO290G, PRO290H, PRO403G, PRO403H, PRO404G, PRO404H, SER181G, SER181H, SER293G, SER293H, SER394G, SER394H, THR147G, THR147H, THR174G, THR174H, THR177G, THR177H, THR249G, THR249H, THR267G, THR267H, THR287G, THR287H, THR399G, THR399H, THR400G, THR400H, THR408G, THR408H, TRP388G, TRP388H, TYR237G, TYR237H, TYR393G, TYR393H, TYR401G, TYR401H, TYR410G, TYR410H, VAL173G, VAL173H, VAL180G, VAL180H, VAL235G, VAL235H, VAL289G, VAL289H, VAL294G, VAL294H, VAL413H
• I-L: ALA175I, ALA175L, ALA346I, ALA346L, ALA349I, ALA349L, ALA353I, ALA353L, ALA35I, ALA35L, ARG233I, ARG233L, ARG282I, ARG282L, ARG288I, ARG288L, ARG350I, ARG350L, ARG354I, ARG354L, ARG360I, ARG360L, ARG36L, ARG412I, ARG412L, ASN145I, ASN145L, ASN251I, ASN251L, ASN275I, ASN275L, ASN283I, ASN283L, ASN387I, ASN387L, ASP144I, ASP144L, ASP153I, ASP153L, ASP239I, ASP239L, CYS389I, CYS389L, CYS397I, CYS397L, GLN284I, GLN284L, GLN392I, GLN392L, GLN409I, GLN409L, GLU141I, GLU141L, GLU142I, GLU142L, GLU150I, GLU150L, GLU176I, GLU176L, GLU179I, GLU179L, GLU248I, GLU248L, GLU253I, GLU253L, GLU390I, GLU390L, GLU391I, GLU391L, GLY269I, GLY269L, GLY292I, GLY292L, GLY395I, GLY395L, GLY396I, GLY396L, GLY405I, GLY405L, HIS178I, HIS178L, HIS252I, HIS252L, HIS273I, HIS273L, HIS347I, HIS347L, ILE236I, ILE236L, ILE238I, ILE238L, ILE272I, ILE272L, ILE286I, ILE286L, ILE295I, ILE295L, ILE406I, ILE406L, LEU250I, LEU250L, LEU268I, LEU268L, LEU278I, LEU278L, LEU291I, LEU291L, LEU352I, LEU352L, LEU355I, LEU355L, LEU407I, LYS149I, LYS149L, LYS154I, LYS154L, LYS271I, LYS271L, LYS348I, LYS348L, LYS351I, LYS351L, MET146I, MET146L, MET148I, MET148L, MET254I, MET254L, MET270I, MET270L, MET280I, MET280L, MET281I, MET281L, MET285I, MET285L, PHE274I, PHE274L, PRO234I, PRO234L, PRO265I, PRO265L, PRO266I, PRO266L, PRO276I, PRO276L, PRO277I, PRO277L, PRO279I, PRO279L, PRO290I, PRO290L, PRO403I, PRO403L, PRO404I, PRO404L, SER181I, SER181L, SER293I, SER293L, SER394I, SER394L, THR147I, THR147L, THR174I, THR174L, THR177I, THR177L, THR249I, THR249L, THR267I, THR267L, THR287I, THR287L, THR399I, THR399L, THR400I, THR400L, THR408I, THR408L, TRP388I, TRP388L, TYR237I, TYR237L, TYR393I, TYR393L, TYR401I, TYR401L, TYR410I, TYR410L, VAL173I, VAL173L, VAL180I, VAL180L, VAL235I, VAL235L, VAL289I, VAL289L, VAL294I, VAL294L, VAL413I