2D5H

crystal structure of recombinant soybean proglycinin a3b4 subunit, its comparison with mature glycinin a3b4 subunit, responsible for hexamer assembly

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 229
  • Norm. En. per Res.: -3.4998
• 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	-95.2938	-0.4538	-641.96	-737.7076	219	55	12	28119	0	14	16
A-C	-53.9397	11.0311	-631.061	-673.9696	215	57	12	27606	0	14	18
A-F	-6.7837	-65.1551	-75.7083	-147.6471	45	4	0	3156	2	28	18
B-C	-106.7716	-8.3622	-626.4	-741.5338	218	49	12	28120	1	14	15
C-F	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	2
D-E	-124.0861	10.9745	-697.075	-810.1867	240	56	13	30405	1	15	17
D-F	-120.9373	4.0273	-684.534	-801.444	229	56	13	29191	0	17	17
E-F	-94.5691	1.8982	-707.367	-800.0379	235	52	16	29314	1	14	16

Interface residues

• A-B: ALA166A, ALA214A, ALA224A, ALA388B, ALA410B, ALA431B, ALA43B, ALA450B, ALA461B, ALA77A, ALA81A, ARG161A, ARG228A, ARG234A, ARG363B, ARG400B, ARG402B, ARG460B, ARG479B, ASN12B, ASN151B, ASN153A, ASN154A, ASN159A, ASN168A, ASN218A, ASN220A, ASN377B, ASN385B, ASN387B, ASN389B, ASN405B, ASN409B, ASN427B, ASN469B, ASN472B, ASN486B, ASN492B, ASN55A, ASN7B, ASP109A, ASP148B, ASP157A, ASP222A, ASP231A, ASP232A, ASP413B, ASP457B, CYS42B, CYS85A, CYS9B, GLN108A, GLN10B, GLN112A, GLN155A, GLN158A, GLN178A, GLN215A, GLN364A, GLN36A, GLN407B, GLN41A, GLN41B, GLN426B, GLN433B, GLN475B, GLN477B, GLN480B, GLN484B, GLU175A, GLU199A, GLU200A, GLU221A, GLU225A, GLU233A, GLU241A, GLU26A, GLU432B, GLU465B, GLU87A, GLU8B, GLY128A, GLY167A, GLY201A, GLY202A, GLY207A, GLY242A, GLY243A, GLY366B, GLY378B, GLY408B, GLY434B, GLY44B, GLY474B, GLY485B, GLY488B, GLY79A, GLY84A, HIS111A, HIS211A, HIS383B, HIS447B, HIS448B, HIS58A, ILE114A, ILE171A, ILE247A, ILE326A, ILE379B, ILE455B, ILE462B, LEU11B, LEU156A, LEU165A, LEU205A, LEU213A, LEU227A, LEU244A, LEU367B, LEU374B, LEU386B, LEU467B, LEU473B, LEU481B, LEU490B, LEU57A, LEU59A, LYS113A, LYS226A, LYS445B, LYS456B, LYS482B, MET177A, PHE152A, PHE152B, PHE163A, PHE208A, PHE212A, PHE217A, PHE343B, PHE412B, PHE428B, PHE459B, PHE6A, PHE6B, PHE80A, PHE82A, PRO126A, PRO127A, PRO130A, PRO160A, PRO169A, PRO230A, PRO382B, PRO425B, PRO463B, PRO489B, PRO493B, PRO60A, PRO64A, PRO83A, PRO86A, SER110A, SER150B, SER203A, SER206A, SER209A, SER216A, SER229A, SER245A, SER248A, SER35A, SER381B, SER390B, SER452B, SER453B, SER464B, SER468B, SER470B, SER476B, SER487B, SER61A, SER63A, THR133A, THR176A, THR219A, THR223A, THR239A, THR446B, TRP132A, TRP384B, TYR131A, TYR134A, TYR164A, TYR380B, TYR454B, TYR471B, TYR483B, TYR62A, TYR65A, VAL129A, VAL162A, VAL204A, VAL238A, VAL240A, VAL246A, VAL401B, VAL403B, VAL404B, VAL411B, VAL424B, VAL429B, VAL430B, VAL451B, VAL458B, VAL45B, VAL466B, VAL478B, VAL491B
• A-C: ALA166C, ALA214C, ALA224C, ALA388A, ALA410A, ALA431A, ALA43A, ALA450A, ALA461A, ALA77C, ALA81C, ARG115C, ARG161C, ARG228C, ARG234C, ARG363A, ARG400A, ARG402A, ARG460A, ARG479A, ASN12A, ASN151A, ASN153C, ASN154C, ASN159C, ASN168C, ASN218C, ASN220C, ASN345A, ASN377A, ASN385A, ASN387A, ASN389A, ASN405A, ASN409A, ASN427A, ASN449A, ASN469A, ASN472A, ASN486A, ASN492A, ASN7A, ASP109C, ASP148A, ASP157C, ASP222C, ASP231C, ASP232C, ASP413A, ASP457A, CYS42A, CYS85C, CYS9A, GLN10A, GLN112C, GLN155C, GLN158C, GLN178C, GLN215C, GLN36C, GLN407A, GLN41A, GLN426A, GLN433A, GLN477A, GLN480A, GLN484A, GLU175C, GLU200C, GLU221C, GLU225C, GLU233C, GLU241C, GLU26C, GLU432A, GLU465A, GLU87C, GLU8A, GLY128C, GLY167C, GLY201C, GLY202C, GLY207C, GLY242C, GLY243C, GLY366A, GLY378A, GLY408A, GLY44A, GLY474A, GLY485A, GLY488A, GLY79C, GLY84C, HIS111C, HIS173C, HIS211C, HIS383A, HIS447A, HIS448A, HIS58C, ILE114C, ILE171C, ILE326C, ILE379A, ILE455A, ILE462A, ILE78C, LEU11A, LEU156C, LEU165C, LEU205C, LEU213C, LEU227C, LEU244C, LEU367A, LEU386A, LEU467A, LEU473A, LEU481A, LEU490A, LEU57C, LEU59C, LYS113C, LYS226C, LYS445A, LYS456A, LYS482A, MET177C, PHE152A, PHE152C, PHE163C, PHE208C, PHE212C, PHE217C, PHE343A, PHE365C, PHE412A, PHE428A, PHE459A, PHE6A, PHE6C, PHE80C, PHE82C, PHE89C, PRO126C, PRO127C, PRO130C, PRO160C, PRO169C, PRO174C, PRO230C, PRO382A, PRO425A, PRO463A, PRO489A, PRO493A, PRO60C, PRO64C, PRO83C, PRO86C, SER110C, SER150A, SER203C, SER206C, SER209C, SER216C, SER229C, SER245C, SER381A, SER390A, SER452A, SER453A, SER464A, SER468A, SER470A, SER61C, SER63C, THR133C, THR176C, THR219C, THR223C, THR239C, THR446A, TRP132C, TRP384A, TYR131C, TYR134C, TYR164C, TYR380A, TYR454A, TYR471A, TYR483A, TYR62C, TYR65C, VAL129C, VAL162C, VAL204C, VAL238C, VAL240C, VAL246C, VAL401A, VAL403A, VAL404A, VAL411A, VAL423A, VAL424A, VAL429A, VAL430A, VAL451A, VAL458A, VAL45A, VAL466A, VAL478A, VAL491A
• A-F: ALA341A, ARG22F, ARG234F, ARG337A, ARG340A, ARG350A, ARG417F, ARG479A, ASN168F, ASN345A, ASN486A, ASN53F, ASP170F, ASP231F, ASP232F, GLN484A, GLU200F, GLU233F, GLU24F, GLU26F, GLY27F, GLY28F, GLY349A, GLY485A, GLY488A, ILE237F, ILE351A, LEU29F, LEU490A, LYS235F, LYS347A, LYS456A, PHE343A, PRO230F, PRO338A, PRO346A, SER25F, SER339A, SER487A, THR239F, TYR344A, TYR375A, VAL238F, VAL23F, VAL373A
• B-C: ALA166B, ALA214B, ALA224B, ALA388C, ALA410C, ALA431C, ALA43C, ALA450C, ALA461C, ALA77B, ALA81B, ARG161B, ARG228B, ARG234B, ARG363C, ARG400C, ARG402C, ARG460C, ARG479C, ASN12C, ASN151C, ASN153B, ASN154B, ASN159B, ASN168B, ASN218B, ASN220B, ASN377C, ASN385C, ASN387C, ASN389C, ASN405C, ASN409C, ASN427C, ASN449C, ASN469C, ASN472C, ASN486C, ASN492C, ASN55B, ASN7C, ASP109B, ASP148C, ASP157B, ASP170B, ASP222B, ASP231B, ASP232B, ASP413C, ASP457C, CYS42C, CYS85B, CYS9C, GLN108B, GLN10C, GLN112B, GLN155B, GLN158B, GLN178B, GLN215B, GLN236B, GLN407C, GLN41C, GLN426C, GLN433C, GLN475C, GLN477C, GLN480C, GLN484C, GLU175B, GLU200B, GLU221B, GLU225B, GLU233B, GLU241B, GLU432C, GLU465C, GLU87B, GLU8B, GLU8C, GLY128B, GLY167B, GLY201B, GLY202B, GLY207B, GLY242B, GLY243B, GLY366C, GLY378C, GLY408C, GLY44C, GLY474C, GLY485C, GLY488C, GLY79B, GLY84B, HIS111B, HIS211B, HIS383C, HIS447C, HIS448C, HIS58B, ILE114B, ILE171B, ILE247B, ILE326B, ILE379C, ILE455C, ILE462C, LEU11C, LEU156B, LEU165B, LEU205B, LEU213B, LEU227B, LEU244B, LEU367C, LEU374C, LEU386C, LEU467C, LEU473C, LEU481C, LEU490C, LEU57B, LEU59B, LYS113B, LYS226B, LYS235B, LYS445C, LYS456C, LYS482C, MET177B, PHE152B, PHE152C, PHE163B, PHE208B, PHE212B, PHE217B, PHE343C, PHE365B, PHE412C, PHE428C, PHE459C, PHE6B, PHE6C, PHE80B, PHE82B, PHE89B, PRO126B, PRO127B, PRO130B, PRO160B, PRO169B, PRO230B, PRO382C, PRO425C, PRO463C, PRO489C, PRO493C, PRO60B, PRO64B, PRO66B, PRO83B, SER110B, SER150C, SER203B, SER206B, SER209B, SER216B, SER229B, SER245B, SER248B, SER381C, SER390C, SER452C, SER453C, SER464C, SER468C, SER470C, SER476C, SER61B, SER63B, THR133B, THR176B, THR219B, THR223B, THR239B, THR446C, TRP132B, TRP384C, TYR131B, TYR134B, TYR164B, TYR380C, TYR454C, TYR471C, TYR483C, TYR62B, TYR65B, VAL129B, VAL162B, VAL204B, VAL238B, VAL240B, VAL246B, VAL401C, VAL403C, VAL404C, VAL411C, VAL424C, VAL429C, VAL430C, VAL451C, VAL458C, VAL45C, VAL466C, VAL478C, VAL491C
• C-F: ARG22F, ASN218C
• D-E: ALA166D, ALA214D, ALA224D, ALA388E, ALA410E, ALA431E, ALA43D, ALA43E, ALA450E, ALA461E, ALA77D, ALA81D, ARG161D, ARG228D, ARG234D, ARG400E, ARG402E, ARG460E, ARG479E, ASN12E, ASN151D, ASN151E, ASN153D, ASN154D, ASN159D, ASN168D, ASN218D, ASN220D, ASN377E, ASN385E, ASN387E, ASN389D, ASN389E, ASN405E, ASN409E, ASN427E, ASN449E, ASN469E, ASN472E, ASN486E, ASN492E, ASN55D, ASN7E, ASP109D, ASP148E, ASP157D, ASP222D, ASP231D, ASP232D, ASP413E, ASP457E, CYS42D, CYS42E, CYS85D, CYS9D, CYS9E, GLN108D, GLN10E, GLN112D, GLN155D, GLN158D, GLN178D, GLN179D, GLN180D, GLN215D, GLN236D, GLN36D, GLN407E, GLN41D, GLN41E, GLN426D, GLN426E, GLN433E, GLN475E, GLN477E, GLN480E, GLN484E, GLU175D, GLU200D, GLU221D, GLU225D, GLU233D, GLU241D, GLU26D, GLU432E, GLU465E, GLU87D, GLU8D, GLU8E, GLY128D, GLY167D, GLY201D, GLY202D, GLY207D, GLY242D, GLY243D, GLY366E, GLY378E, GLY408E, GLY434E, GLY44D, GLY44E, GLY474E, GLY485E, GLY488E, GLY79D, GLY84D, HIS111D, HIS173D, HIS211D, HIS383E, HIS447E, HIS448E, HIS58D, ILE114D, ILE171D, ILE1E, ILE247D, ILE326D, ILE379E, ILE455E, ILE462E, LEU11E, LEU156D, LEU165D, LEU205D, LEU213D, LEU227D, LEU244D, LEU367E, LEU374E, LEU386E, LEU467E, LEU473E, LEU481E, LEU490E, LEU57D, LEU59D, LYS113D, LYS226D, LYS445E, LYS456E, LYS482E, LYS5E, MET177D, PHE152D, PHE152E, PHE163D, PHE208D, PHE212D, PHE217D, PHE343E, PHE365D, PHE412E, PHE428E, PHE459E, PHE6D, PHE6E, PHE80D, PHE82D, PHE89D, PRO126D, PRO127D, PRO130D, PRO160D, PRO169D, PRO174D, PRO230D, PRO382E, PRO425E, PRO463E, PRO489E, PRO493E, PRO60D, PRO64D, PRO66D, PRO83D, PRO86D, SER110D, SER150D, SER150E, SER203D, SER206D, SER209D, SER216D, SER229D, SER245D, SER381E, SER390E, SER3E, SER452E, SER453E, SER464E, SER468E, SER470E, SER476E, SER487E, SER4E, SER61D, SER63D, THR133D, THR149D, THR176D, THR219D, THR223D, THR239D, THR2E, THR446E, THR88D, TRP132D, TRP384E, TYR131D, TYR134D, TYR164D, TYR380E, TYR454E, TYR471E, TYR483E, TYR62D, TYR65D, VAL129D, VAL162D, VAL204D, VAL238D, VAL240D, VAL246D, VAL401E, VAL403E, VAL404E, VAL411E, VAL423E, VAL424E, VAL429E, VAL430E, VAL451E, VAL458E, VAL45E, VAL466E, VAL478E, VAL491E
• D-F: ALA166F, ALA214F, ALA224F, ALA388D, ALA410D, ALA431D, ALA43D, ALA450D, ALA461D, ALA77F, ALA81F, ARG161F, ARG228F, ARG234F, ARG363D, ARG400D, ARG402D, ARG460D, ARG479D, ASN12D, ASN151D, ASN153F, ASN154F, ASN159F, ASN168F, ASN218F, ASN220F, ASN325F, ASN377D, ASN385D, ASN387D, ASN389D, ASN405D, ASN409D, ASN427D, ASN449D, ASN469D, ASN472D, ASN486D, ASN492D, ASN55F, ASN7D, ASN7F, ASP109F, ASP148D, ASP157F, ASP222F, ASP231F, ASP232F, ASP413D, ASP457D, CYS42D, CYS85F, CYS9D, GLN106F, GLN108F, GLN10D, GLN112F, GLN155F, GLN158F, GLN178F, GLN179F, GLN215F, GLN364F, GLN36F, GLN407D, GLN41D, GLN41F, GLN426D, GLN433D, GLN475D, GLN477D, GLN480D, GLN484D, GLU175F, GLU200F, GLU221F, GLU225F, GLU233F, GLU241F, GLU26F, GLU432D, GLU465D, GLU87F, GLU8D, GLU8F, GLU90F, GLY128F, GLY167F, GLY201F, GLY202F, GLY207F, GLY242F, GLY243F, GLY366D, GLY408D, GLY44D, GLY474D, GLY485D, GLY488D, GLY79F, GLY84F, HIS111F, HIS173F, HIS211F, HIS383D, HIS447D, HIS448D, HIS58F, ILE114F, ILE171F, ILE247F, ILE326F, ILE379D, ILE455D, ILE462D, ILE78F, LEU107F, LEU11D, LEU156F, LEU165F, LEU205F, LEU213F, LEU227F, LEU244F, LEU357D, LEU367D, LEU386D, LEU467D, LEU473D, LEU481D, LEU490D, LEU57F, LEU59F, LYS113F, LYS226F, LYS445D, LYS456D, LYS482D, MET177F, PHE152D, PHE152F, PHE163F, PHE208F, PHE212F, PHE217F, PHE343D, PHE365F, PHE412D, PHE428D, PHE459D, PHE6D, PHE6F, PHE80F, PHE82F, PHE89F, PRO126F, PRO127F, PRO130F, PRO160F, PRO169F, PRO230F, PRO382D, PRO425D, PRO463D, PRO489D, PRO493D, PRO60F, PRO64F, PRO66F, PRO83F, PRO86F, SER110F, SER150D, SER203F, SER206F, SER209F, SER216F, SER229F, SER245F, SER381D, SER390D, SER452D, SER453D, SER464D, SER468D, SER470D, SER476D, SER487D, SER61F, SER63F, THR133F, THR176F, THR219F, THR223F, THR239F, THR446D, THR88F, TRP132F, TRP384D, TYR131F, TYR134F, TYR164F, TYR380D, TYR454D, TYR471D, TYR483D, TYR62F, TYR65F, VAL129F, VAL162F, VAL204F, VAL238F, VAL240F, VAL246F, VAL401D, VAL403D, VAL404D, VAL411D, VAL423D, VAL424D, VAL429D, VAL430D, VAL451D, VAL458D, VAL45D, VAL466D, VAL478D, VAL491D
• E-F: ALA166E, ALA214E, ALA224E, ALA388F, ALA410F, ALA431F, ALA43F, ALA450F, ALA461F, ALA77E, ALA81E, ARG161E, ARG228E, ARG234E, ARG363F, ARG400F, ARG402F, ARG460F, ARG479F, ASN12F, ASN151F, ASN153E, ASN153F, ASN154E, ASN154F, ASN159E, ASN168E, ASN218E, ASN220E, ASN377F, ASN385F, ASN387F, ASN389F, ASN405F, ASN409F, ASN427F, ASN469F, ASN472F, ASN486F, ASN492F, ASN55E, ASN7F, ASP109E, ASP148F, ASP157E, ASP157F, ASP222E, ASP231E, ASP232E, ASP413F, ASP457F, CYS42F, CYS85E, CYS9F, GLN108E, GLN10F, GLN112E, GLN155E, GLN155F, GLN158E, GLN158F, GLN178E, GLN215E, GLN364E, GLN36E, GLN407F, GLN41E, GLN41F, GLN426F, GLN433F, GLN475F, GLN477F, GLN480F, GLN484F, GLU175E, GLU200E, GLU221E, GLU225E, GLU233E, GLU241E, GLU26E, GLU432F, GLU465F, GLU87E, GLU8E, GLU8F, GLY128E, GLY167E, GLY201E, GLY202E, GLY207E, GLY242E, GLY243E, GLY366F, GLY378F, GLY408F, GLY434F, GLY44F, GLY474F, GLY485F, GLY488F, GLY79E, GLY84E, HIS111E, HIS211E, HIS383F, HIS447F, HIS448F, HIS58E, ILE114E, ILE171E, ILE1E, ILE247E, ILE326E, ILE379F, ILE455F, ILE462F, ILE78E, LEU107E, LEU11F, LEU156E, LEU156F, LEU165E, LEU205E, LEU213E, LEU227E, LEU244E, LEU367F, LEU386F, LEU467F, LEU473F, LEU481F, LEU490F, LEU57E, LEU59E, LYS113E, LYS226E, LYS235E, LYS445F, LYS456F, LYS482F, LYS5E, MET177E, PHE152E, PHE152F, PHE163E, PHE208E, PHE212E, PHE217E, PHE343F, PHE412F, PHE428F, PHE459F, PHE6E, PHE6F, PHE80E, PHE82E, PHE89E, PRO126E, PRO127E, PRO130E, PRO160E, PRO169E, PRO230E, PRO382F, PRO425F, PRO463F, PRO489F, PRO493F, PRO60E, PRO64E, PRO66E, PRO83E, PRO86E, SER110E, SER150F, SER203E, SER206E, SER209E, SER216E, SER229E, SER245E, SER248E, SER35E, SER381F, SER390F, SER452F, SER453F, SER464F, SER468F, SER470F, SER476F, SER487F, SER61E, SER63E, THR133E, THR149F, THR176E, THR219E, THR223E, THR239E, THR2E, THR446F, THR88E, TRP132E, TRP384F, TYR131E, TYR134E, TYR164E, TYR380F, TYR454F, TYR471F, TYR483F, TYR62E, TYR65E, VAL129E, VAL162E, VAL204E, VAL238E, VAL240E, VAL246E, VAL401F, VAL403F, VAL404F, VAL411F, VAL423F, VAL424F, VAL429F, VAL430F, VAL451F, VAL458F, VAL45F, VAL466F, VAL478F, VAL491F