3KSC

crystal structure of pea prolegumin, an 11s seed globulin from pisum sativum l.

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 228
  • Norm. En. per Res.: -4.3908
• 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	-114.5178	-78.4209	-812.028	-1004.9667	235	63	27	33019	5	40	36
A-C	-100.5558	-38.7883	-753.157	-892.5011	225	55	28	31110	3	40	39
A-E	0.0	0.0	-0.0142	-0.0142	2	0	0	4	0	0	0
B-C	-78.7265	-60.2047	-760.977	-899.9082	227	45	26	30885	3	38	31
B-E	-100.3058	18.456	-296.135	-377.9848	126	27	0	11540	7	45	49
B-F	0.0	0.0	-0.023	-0.023	3	0	0	13	0	0	0
D-E	-129.4257	-73.5228	-798.154	-1001.1025	228	43	27	32412	4	39	36
D-F	-87.5758	-58.8562	-770.873	-917.3049	226	34	27	31088	3	38	38
E-F	-116.8554	-2.1225	-805.844	-924.8218	233	49	29	32000	5	43	40

Interface residues

• A-B: ALA163B, ALA202B, ALA224B, ALA369A, ALA379A, ALA390A, ALA420A, ALA422A, ALA423A, ALA444A, ALA447A, ALA44A, ALA462A, ALA463A, ALA472A, ALA487A, ALA66B, ARG107B, ARG147A, ARG14A, ARG158B, ARG159B, ARG196B, ARG212B, ARG354A, ARG354B, ARG391A, ARG42A, ARG42B, ARG440A, ARG445A, ARG469A, ARG473A, ARG488A, ARG59B, ARG60B, ASN150B, ASN151B, ASN165B, ASN185B, ASN188B, ASN189B, ASN204B, ASN206B, ASN217B, ASN368A, ASN376A, ASN378A, ASN37B, ASN380A, ASN396A, ASN398A, ASN400A, ASN418A, ASN438A, ASN454A, ASN455A, ASN466A, ASN470A, ASN478A, ASN479A, ASN56B, ASN65B, ASN8A, ASP106B, ASP145A, ASP154B, ASP197B, ASP201B, ASP211B, ASP404A, ASP439A, ASP459A, CYS10A, CYS397A, CYS43A, CYS86B, GLN109B, GLN11A, GLN152B, GLN155B, GLN168B, GLN172B, GLN174B, GLN176B, GLN183B, GLN214B, GLN393A, GLN417A, GLN468A, GLN474A, GLN7A, GLN7B, GLU13A, GLU167B, GLU169B, GLU184B, GLU186B, GLU200B, GLU218B, GLU471A, GLU88B, GLU9A, GLY125B, GLY164B, GLY187B, GLY193B, GLY215B, GLY230B, GLY231B, GLY399A, GLY405A, GLY442A, GLY448A, GLY45A, GLY80B, GLY85B, HIS108B, HIS166B, HIS175B, HIS208B, HIS374A, ILE126B, ILE190B, ILE209B, ILE234B, ILE235B, ILE443A, ILE453A, LEU12A, LEU153B, LEU162B, LEU171B, LEU199B, LEU213B, LEU232B, LEU348A, LEU358A, LEU377A, LEU392A, LEU426A, LEU446A, LEU456A, LEU458A, LEU467A, LEU475A, LEU484A, LEU58B, LYS110B, LYS195B, LYS222B, LYS227B, LYS229B, LYS357A, LYS39A, LYS424A, LYS436A, LYS476A, LYS482A, MET130B, MET156B, MET370A, MET81B, PHE128B, PHE160B, PHE170B, PHE191B, PHE194B, PHE198B, PHE203B, PHE371A, PHE403A, PHE465A, PHE481A, PHE79B, PHE83B, PHE90B, PRO123B, PRO157B, PRO373A, PRO416A, PRO457A, PRO480A, PRO486A, PRO61B, PRO67B, PRO84B, PRO87B, SER148B, SER149A, SER149B, SER192B, SER233B, SER381A, SER425A, SER450A, SER451A, SER477A, SER64B, THR124B, THR316B, THR401A, THR437A, THR449A, THR464A, THR89B, TRP129B, TRP355B, TYR131B, TYR161B, TYR173B, TYR375A, TYR419A, TYR62B, TYR63B, TYR78B, VAL111B, VAL127B, VAL205B, VAL210B, VAL226B, VAL228B, VAL317B, VAL372A, VAL394A, VAL395A, VAL402A, VAL415A, VAL421A, VAL452A, VAL460A, VAL461A, VAL46A, VAL485A, VAL82B
• A-C: ALA163A, ALA202A, ALA369C, ALA379C, ALA390C, ALA420C, ALA422C, ALA423C, ALA441C, ALA444C, ALA447C, ALA44C, ALA462C, ALA463C, ALA472C, ALA487C, ALA66A, ARG105A, ARG107A, ARG147C, ARG158A, ARG159A, ARG196A, ARG212A, ARG354A, ARG391C, ARG42C, ARG440C, ARG445C, ARG469C, ARG473C, ARG488C, ARG59A, ARG60A, ASN150A, ASN151A, ASN188A, ASN189A, ASN204A, ASN206A, ASN217A, ASN368C, ASN376C, ASN378C, ASN37A, ASN380C, ASN396C, ASN398C, ASN400C, ASN418C, ASN438C, ASN454C, ASN455C, ASN466C, ASN470C, ASN478C, ASN479C, ASN65A, ASN8C, ASP106A, ASP145C, ASP154A, ASP197A, ASP201A, ASP211A, ASP404C, ASP459C, CYS10C, CYS397C, CYS43C, CYS86A, GLN109A, GLN11C, GLN152A, GLN155A, GLN168A, GLN172A, GLN174A, GLN214A, GLN393C, GLN417C, GLN468C, GLN474C, GLU13C, GLU167A, GLU169A, GLU200A, GLU218A, GLU471C, GLU489C, GLU88A, GLU9C, GLY125A, GLY164A, GLY187A, GLY193A, GLY215A, GLY230A, GLY231A, GLY399C, GLY405C, GLY442C, GLY448C, GLY45C, GLY80A, GLY85A, HIS108A, HIS166A, HIS175A, HIS208A, HIS374C, ILE126A, ILE190A, ILE209A, ILE234A, ILE235A, ILE443C, ILE453C, LEU12C, LEU153A, LEU162A, LEU171A, LEU199A, LEU213A, LEU232A, LEU348C, LEU358C, LEU377C, LEU392C, LEU426C, LEU446C, LEU456C, LEU458C, LEU467C, LEU475C, LEU484C, LEU58A, LYS110A, LYS195A, LYS222A, LYS227A, LYS229A, LYS357C, LYS39C, LYS424C, LYS436C, LYS476C, LYS482C, MET130A, MET156A, MET370C, MET81A, PHE128A, PHE160A, PHE170A, PHE191A, PHE194A, PHE198A, PHE203A, PHE371C, PHE403C, PHE465C, PHE481C, PHE483C, PHE79A, PHE83A, PRO123A, PRO157A, PRO373C, PRO416C, PRO457C, PRO480C, PRO486C, PRO61A, PRO67A, PRO84A, PRO87A, SER148A, SER148C, SER149A, SER149C, SER192A, SER233A, SER381C, SER425C, SER450C, SER451C, SER477C, SER64A, THR124A, THR316A, THR401C, THR437C, THR449C, THR464C, THR89A, TRP129A, TRP355A, TYR131A, TYR161A, TYR173A, TYR375C, TYR419C, TYR62A, TYR63A, TYR78A, VAL111A, VAL127A, VAL205A, VAL210A, VAL226A, VAL228A, VAL317A, VAL372C, VAL394C, VAL395C, VAL402C, VAL415C, VAL421C, VAL452C, VAL460C, VAL461C, VAL46C, VAL485C, VAL82A
• A-E: ARG469A, SER331E
• B-C: ALA163C, ALA202C, ALA224C, ALA369B, ALA379B, ALA390B, ALA420B, ALA422B, ALA423B, ALA444B, ALA447B, ALA44B, ALA462B, ALA463B, ALA472B, ALA487B, ALA66C, ARG107C, ARG147B, ARG158C, ARG159C, ARG196C, ARG212C, ARG391B, ARG42B, ARG42C, ARG440B, ARG445B, ARG469B, ARG473B, ARG488B, ARG59C, ARG60C, ASN150C, ASN151C, ASN165C, ASN188C, ASN189C, ASN204C, ASN206C, ASN217C, ASN368B, ASN376B, ASN378B, ASN37C, ASN380B, ASN396B, ASN398B, ASN400B, ASN418B, ASN438B, ASN454B, ASN455B, ASN466B, ASN470B, ASN478B, ASN479B, ASN65C, ASN8B, ASP106C, ASP145B, ASP154C, ASP197C, ASP201C, ASP211C, ASP404B, ASP439B, ASP459B, CYS10B, CYS397B, CYS43B, CYS86C, GLN109C, GLN11B, GLN152C, GLN155C, GLN168C, GLN172C, GLN174C, GLN214C, GLN393B, GLN417B, GLN468B, GLN474B, GLN7B, GLU13B, GLU167C, GLU169C, GLU200C, GLU218C, GLU471B, GLU88C, GLU9B, GLU9C, GLY125C, GLY164C, GLY187C, GLY193C, GLY215C, GLY230C, GLY231C, GLY399B, GLY405B, GLY442B, GLY448B, GLY45B, GLY80C, GLY85C, HIS108C, HIS166C, HIS208C, HIS374B, ILE126C, ILE146C, ILE190C, ILE209C, ILE234C, ILE235C, ILE443B, ILE453B, LEU12B, LEU153C, LEU162C, LEU171C, LEU199C, LEU213C, LEU232C, LEU348B, LEU358B, LEU377B, LEU392B, LEU426B, LEU446B, LEU456B, LEU458B, LEU467B, LEU475B, LEU484B, LEU58C, LYS110C, LYS195C, LYS222C, LYS227C, LYS229C, LYS357B, LYS39B, LYS424B, LYS436B, LYS476B, LYS482B, MET130C, MET156C, MET370B, MET81C, PHE128C, PHE160C, PHE170C, PHE191C, PHE194C, PHE198C, PHE203C, PHE371B, PHE403B, PHE465B, PHE481B, PHE483B, PHE79C, PHE83C, PRO123C, PRO157C, PRO373B, PRO416B, PRO457B, PRO480B, PRO486B, PRO61C, PRO67C, PRO84C, PRO87C, SER148B, SER148C, SER149B, SER149C, SER192C, SER233C, SER381B, SER425B, SER450B, SER451B, SER477B, SER64C, THR124C, THR316C, THR401B, THR437B, THR449B, THR464B, THR89C, TRP129C, TRP355C, TYR131C, TYR161C, TYR173C, TYR375B, TYR419B, TYR62C, TYR63C, TYR78C, VAL111C, VAL127C, VAL205C, VAL210C, VAL226C, VAL228C, VAL317C, VAL372B, VAL394B, VAL395B, VAL402B, VAL415B, VAL421B, VAL452B, VAL460B, VAL461B, VAL46B, VAL485B, VAL82C
• B-E: ALA339B, ALA339E, ALA57B, ALA57E, ARG113B, ARG113E, ARG115B, ARG115E, ARG323B, ARG323E, ARG341B, ARG341E, ARG429B, ARG429E, ARG55B, ARG55E, ASN132B, ASN132E, ASN325B, ASN325E, ASN336B, ASN336E, ASN56B, ASN56E, ASN76B, ASN76E, ASP118B, ASP118E, ASP133B, ASP133E, ASP135B, ASP135E, ASP428B, ASP428E, GLN134B, GLN134E, GLN54B, GLN54E, GLN73B, GLN73E, GLN74B, GLN74E, GLU116B, GLU116E, GLU338B, GLU338E, GLY117B, GLY117E, GLY230B, GLY230E, GLY231B, GLY231E, GLY327B, GLY327E, GLY340B, GLY340E, GLY363B, GLY363E, GLY75B, GLY75E, GLY77B, GLY77E, HIS362B, HIS362E, HIS366B, HIS366E, ILE139B, ILE139E, ILE234B, ILE234E, ILE235B, ILE235E, ILE72B, ILE72E, LEU232B, LEU232E, LEU365B, LEU365E, LEU386B, LEU386E, LYS227B, LYS227E, LYS229B, LYS229E, LYS387B, LYS387E, PHE114B, PHE114E, PHE430E, PHE71B, PHE71E, PRO137B, PRO137E, PRO237B, PRO237E, PRO238E, PRO328B, PRO328E, PRO332B, PRO332E, PRO337B, PRO337E, SER233B, SER233E, SER236B, SER329B, SER329E, SER330B, SER330E, SER331B, SER331E, SER364B, SER364E, SER431B, SER431E, THR136B, THR136E, TYR131B, TYR131E, TYR335B, TYR335E, TYR78B, TYR78E, VAL138E, VAL228B, VAL228E
• B-F: ARG469F, PRO332B, SER331B
• D-E: ALA163D, ALA202D, ALA369E, ALA379E, ALA390E, ALA420E, ALA422E, ALA423E, ALA444E, ALA447E, ALA44E, ALA462E, ALA463E, ALA472E, ALA487E, ALA66D, ARG107D, ARG147E, ARG158D, ARG159D, ARG196D, ARG212D, ARG391E, ARG42D, ARG42E, ARG440E, ARG445E, ARG469E, ARG473E, ARG488E, ARG59D, ARG60D, ASN150D, ASN151D, ASN165D, ASN188D, ASN189D, ASN204D, ASN206D, ASN217D, ASN368E, ASN376E, ASN378E, ASN37D, ASN380E, ASN396E, ASN398E, ASN400E, ASN418E, ASN438E, ASN454E, ASN455E, ASN466E, ASN470E, ASN478E, ASN479E, ASN65D, ASN8E, ASP106D, ASP145E, ASP154D, ASP197D, ASP201D, ASP211D, ASP404E, ASP439E, ASP459E, CYS10E, CYS318D, CYS397E, CYS43E, CYS86D, GLN109D, GLN11E, GLN152D, GLN155D, GLN168D, GLN172D, GLN174D, GLN214D, GLN393E, GLN417E, GLN468E, GLN474E, GLN7E, GLU13E, GLU167D, GLU169D, GLU186D, GLU200D, GLU218D, GLU471E, GLU88D, GLU9D, GLU9E, GLY125D, GLY164D, GLY187D, GLY193D, GLY215D, GLY230D, GLY231D, GLY399E, GLY405E, GLY442E, GLY448E, GLY45E, GLY80D, GLY85D, HIS108D, HIS166D, HIS175D, HIS208D, HIS374E, ILE126D, ILE190D, ILE209D, ILE234D, ILE235D, ILE443E, ILE453E, LEU12E, LEU153D, LEU162D, LEU171D, LEU199D, LEU213D, LEU232D, LEU348E, LEU358E, LEU377E, LEU392E, LEU426E, LEU446E, LEU456E, LEU458E, LEU467E, LEU475E, LEU484E, LEU58D, LYS110D, LYS195D, LYS222D, LYS227D, LYS229D, LYS357E, LYS39E, LYS424E, LYS436E, LYS476E, LYS482E, MET130D, MET156D, MET370E, MET81D, PHE128D, PHE160D, PHE170D, PHE191D, PHE194D, PHE198D, PHE203D, PHE371E, PHE403E, PHE465E, PHE481E, PHE483E, PHE79D, PHE83D, PRO123D, PRO157D, PRO373E, PRO416E, PRO457E, PRO480E, PRO486E, PRO61D, PRO67D, PRO84D, PRO87D, SER148D, SER148E, SER149D, SER149E, SER192D, SER233D, SER381E, SER425E, SER450E, SER451E, SER477E, SER64D, THR124D, THR316D, THR401E, THR437E, THR449E, THR464E, THR89D, TRP129D, TRP355D, TYR131D, TYR161D, TYR173D, TYR375E, TYR419E, TYR62D, TYR63D, TYR78D, VAL111D, VAL127D, VAL205D, VAL210D, VAL226D, VAL228D, VAL317D, VAL372E, VAL394E, VAL395E, VAL402E, VAL415E, VAL421E, VAL452E, VAL460E, VAL461E, VAL46E, VAL485E, VAL82D
• D-F: ALA163F, ALA202F, ALA224F, ALA369D, ALA379D, ALA390D, ALA420D, ALA422D, ALA423D, ALA441D, ALA444D, ALA447D, ALA44D, ALA462D, ALA463D, ALA472D, ALA487D, ALA66F, ARG107F, ARG147D, ARG158F, ARG159F, ARG196F, ARG212F, ARG391D, ARG42D, ARG440D, ARG445D, ARG469D, ARG473D, ARG488D, ARG59F, ARG60F, ASN150F, ASN151F, ASN165F, ASN188F, ASN189F, ASN204F, ASN206F, ASN217F, ASN368D, ASN376D, ASN378D, ASN37F, ASN380D, ASN396D, ASN398D, ASN400D, ASN418D, ASN438D, ASN454D, ASN455D, ASN466D, ASN470D, ASN478D, ASN479D, ASN65F, ASN8D, ASP106F, ASP145D, ASP154F, ASP197F, ASP201F, ASP211F, ASP404D, ASP439D, ASP459D, CYS10D, CYS397D, CYS43D, CYS86F, GLN109F, GLN11D, GLN152F, GLN155F, GLN168F, GLN172F, GLN174F, GLN176F, GLN214F, GLN393D, GLN417D, GLN468D, GLN474D, GLU13D, GLU167F, GLU169F, GLU186F, GLU200F, GLU218F, GLU471D, GLU489D, GLU88F, GLU9D, GLY125F, GLY164F, GLY187F, GLY193F, GLY215F, GLY230F, GLY231F, GLY399D, GLY405D, GLY442D, GLY448D, GLY45D, GLY80F, GLY85F, HIS108F, HIS166F, HIS175F, HIS208F, HIS374D, ILE126F, ILE190F, ILE209F, ILE234F, ILE235F, ILE443D, ILE453D, LEU12D, LEU153F, LEU162F, LEU171F, LEU199F, LEU213F, LEU232F, LEU348D, LEU358D, LEU377D, LEU392D, LEU426D, LEU446D, LEU456D, LEU458D, LEU467D, LEU475D, LEU58F, LYS110F, LYS195F, LYS222F, LYS227F, LYS229F, LYS357D, LYS39D, LYS424D, LYS436D, LYS476D, LYS482D, MET130F, MET156F, MET370D, MET81F, PHE128F, PHE160F, PHE170F, PHE191F, PHE194F, PHE198F, PHE203F, PHE371D, PHE403D, PHE465D, PHE481D, PHE483D, PHE79F, PHE83F, PRO123F, PRO157F, PRO373D, PRO416D, PRO457D, PRO480D, PRO486D, PRO61F, PRO67F, PRO84F, PRO87F, SER148D, SER148F, SER149D, SER149F, SER192F, SER233F, SER381D, SER425D, SER450D, SER451D, SER477D, SER64F, THR124F, THR316F, THR401D, THR437D, THR449D, THR464D, TRP129F, TRP355F, TYR131F, TYR161F, TYR173F, TYR375D, TYR419D, TYR62F, TYR63F, TYR78F, VAL111F, VAL127F, VAL205F, VAL210F, VAL226F, VAL228F, VAL317F, VAL372D, VAL394D, VAL395D, VAL402D, VAL415D, VAL421D, VAL452D, VAL460D, VAL461D, VAL46D, VAL485D, VAL82F
• E-F: ALA163E, ALA202E, ALA224E, ALA369F, ALA379F, ALA390F, ALA420F, ALA422F, ALA423F, ALA444F, ALA447F, ALA44F, ALA462F, ALA463F, ALA472F, ALA487F, ALA66E, ARG103E, ARG105E, ARG107E, ARG147F, ARG158E, ARG159E, ARG196E, ARG212E, ARG391F, ARG42E, ARG42F, ARG440F, ARG445F, ARG469F, ARG473F, ARG488F, ARG59E, ARG60E, ASN112E, ASN150E, ASN151E, ASN165E, ASN188E, ASN189E, ASN204E, ASN206E, ASN217E, ASN368F, ASN376F, ASN378F, ASN37E, ASN380F, ASN396F, ASN398F, ASN400F, ASN418F, ASN438F, ASN454F, ASN455F, ASN466F, ASN470F, ASN478F, ASN479F, ASN65E, ASN8F, ASP106E, ASP145F, ASP154E, ASP197E, ASP201E, ASP211E, ASP404F, ASP459F, CYS10F, CYS397F, CYS43F, CYS86E, GLN109E, GLN11F, GLN152E, GLN155E, GLN168E, GLN172E, GLN174E, GLN176E, GLN214E, GLN393F, GLN417F, GLN468F, GLN474F, GLN7E, GLN7F, GLU13F, GLU167E, GLU200E, GLU218E, GLU471F, GLU489F, GLU88E, GLU9F, GLY125E, GLY164E, GLY187E, GLY193E, GLY215E, GLY230E, GLY231E, GLY399F, GLY405F, GLY442F, GLY448F, GLY45F, GLY80E, GLY85E, HIS108E, HIS166E, HIS175E, HIS208E, HIS374F, ILE126E, ILE190E, ILE209E, ILE234E, ILE235E, ILE443F, ILE453F, LEU12F, LEU153E, LEU162E, LEU171E, LEU199E, LEU213E, LEU232E, LEU348F, LEU358F, LEU377F, LEU392F, LEU426F, LEU446F, LEU456F, LEU458F, LEU467F, LEU475F, LEU484F, LEU58E, LYS110E, LYS195E, LYS222E, LYS227E, LYS229E, LYS357F, LYS39F, LYS424F, LYS436F, LYS476F, LYS482F, MET130E, MET156E, MET370F, MET81E, PHE128E, PHE160E, PHE170E, PHE191E, PHE194E, PHE198E, PHE203E, PHE371F, PHE403F, PHE465F, PHE481F, PHE483F, PHE79E, PHE83E, PHE90E, PRO123E, PRO157E, PRO373F, PRO416F, PRO457F, PRO480F, PRO486F, PRO61E, PRO67E, PRO84E, PRO87E, SER148E, SER148F, SER149E, SER149F, SER192E, SER233E, SER236E, SER381F, SER425F, SER450F, SER451F, SER477F, SER64E, THR124E, THR316E, THR401F, THR437F, THR449F, THR464F, THR89E, TRP129E, TRP355E, TYR104E, TYR131E, TYR161E, TYR173E, TYR375F, TYR419F, TYR62E, TYR63E, TYR78E, VAL111E, VAL127E, VAL205E, VAL210E, VAL226E, VAL228E, VAL317E, VAL372F, VAL394F, VAL395F, VAL402F, VAL415F, VAL421F, VAL452F, VAL460F, VAL461F, VAL46F, VAL485F, VAL82E