3KQG

trimeric structure of langerin

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 101
  • Norm. En. per Res.: -2.1198
• Hub Node: B(4)

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	-17.0563	6.4348	-203.483	-214.1045	101	20	10	9609	0	3	7
A-C	-17.3371	6.9621	-192.556	-202.9309	104	8	9	9495	0	4	8
B-C	-15.8828	9.2929	-192.077	-198.6669	104	8	10	9365	0	4	10
B-D	0.0	-22.9685	-57.3787	-80.3472	43	5	1	2940	1	8	11
B-E	0.0	-6.3594	-1.6025	-7.9619	6	0	0	103	0	2	0
B-F	0.0	0.0	-5.5554	-5.5554	11	0	0	386	0	6	4
C-D	0.0	-3.3155	-88.0833	-91.3988	65	6	0	4452	1	19	15
C-F	0.0	0.0	-0.0363	-0.0363	5	0	0	26	0	1	0
D-E	-16.8567	8.8739	-182.529	-190.5118	105	18	9	9729	0	3	8
D-F	-12.4379	9.0933	-207.322	-210.6666	107	8	11	9700	0	3	8
E-F	-13.6851	9.6082	-200.967	-205.0439	101	11	9	9785	0	3	7

Interface residues

• A-B: ALA173A, ALA173B, ALA246B, ARG172A, ARG187A, ARG187B, ARG226A, ASN168A, ASN168B, ASN180A, ASN180B, ASN189A, ASN189B, ASN205B, ASN227A, ASP190A, ASP190B, GLN175A, GLN175B, GLN188A, GLN188B, GLN193A, GLN193B, GLN197A, GLU179A, GLU179B, GLU240B, GLY176A, GLY176B, GLY198A, GLY204B, GLY247B, GLY248B, ILE171A, ILE171B, ILE191A, ILE191B, ILE212A, ILE250B, LEU167A, LEU167B, LEU174A, LEU174B, LEU178A, LEU178B, LEU184A, LEU184B, LEU185A, LEU185B, LEU192A, LEU192B, LEU211A, LEU211B, LEU242B, LEU249B, LEU316A, LEU316B, LYS170A, LYS170B, LYS183A, LYS183B, LYS186A, LYS186B, LYS200A, LYS200B, LYS203B, LYS214A, LYS244B, LYS299B, MET181A, MET181B, PHE202B, PHE206B, PHE209B, PHE222A, PHE241B, PHE317A, PRO213A, PRO301B, SER177A, SER177B, SER182A, SER182B, SER196A, SER196B, SER210A, SER210B, SER225A, SER302B, THR245B, TRP199A, TRP199B, TYR201B, TYR207B, TYR208A, TYR243B, TYR251B, VAL194A, VAL194B, VAL195A, VAL195B
• A-C: ALA166A, ALA173A, ALA173C, ALA246A, ARG172A, ARG172C, ARG187A, ARG187C, ARG226C, ASN168A, ASN168C, ASN180A, ASN189A, ASN189C, ASN205A, ASN227C, ASP190A, ASP190C, GLN175A, GLN175C, GLN188A, GLN188C, GLN193A, GLN193C, GLN197C, GLU179A, GLU179C, GLU240A, GLY176A, GLY176C, GLY198C, GLY204A, GLY247A, GLY248A, ILE171A, ILE171C, ILE191A, ILE191C, ILE212C, ILE250A, LEU167A, LEU167C, LEU174A, LEU174C, LEU178A, LEU178C, LEU184A, LEU184C, LEU185A, LEU185C, LEU192A, LEU192C, LEU211A, LEU211C, LEU242A, LEU249A, LEU316A, LEU316C, LYS163A, LYS170A, LYS170C, LYS183A, LYS183C, LYS186A, LYS186C, LYS200A, LYS200C, LYS203A, LYS214C, LYS244A, MET181A, MET181C, PHE202A, PHE206A, PHE209A, PHE209C, PHE222C, PHE241A, PHE317C, PRO213C, PRO301A, SER177A, SER177C, SER182A, SER182C, SER196A, SER196C, SER210A, SER210C, SER225C, SER302A, THR169A, THR245A, TRP199A, TRP199C, TYR201A, TYR207A, TYR208C, TYR243A, TYR251A, VAL194A, VAL194C, VAL195A, VAL195C
• B-C: ALA173B, ALA173C, ALA246C, ARG172B, ARG172C, ARG187B, ARG187C, ARG226B, ARG321B, ASN168B, ASN168C, ASN180B, ASN180C, ASN189B, ASN189C, ASN205C, ASN227B, ASP190B, ASP190C, GLN175B, GLN175C, GLN188B, GLN188C, GLN193B, GLN193C, GLN197B, GLU179B, GLU179C, GLU240C, GLY176B, GLY176C, GLY198B, GLY204C, GLY247C, GLY248C, ILE171B, ILE171C, ILE191B, ILE191C, ILE212B, ILE250C, LEU167B, LEU167C, LEU174B, LEU174C, LEU178B, LEU178C, LEU184B, LEU184C, LEU185B, LEU185C, LEU192B, LEU192C, LEU211B, LEU211C, LEU242C, LEU249C, LEU316B, LEU316C, LYS170B, LYS170C, LYS183B, LYS183C, LYS186B, LYS186C, LYS200B, LYS200C, LYS203C, LYS214B, LYS244C, MET181B, MET181C, PHE202C, PHE206C, PHE209C, PHE222B, PHE241C, PHE317B, PRO213B, PRO301C, SER177B, SER177C, SER182B, SER182C, SER196B, SER196C, SER210B, SER210C, SER225B, SER228B, SER302C, THR245C, TRP199B, TRP199C, TYR201C, TYR207C, TYR208B, TYR243C, TYR251C, VAL194B, VAL194C, VAL195B, VAL195C, VAL224B
• B-D: ALA166D, ALA173D, ARG172D, ARG226B, ARG321B, ASN168D, ASN180D, ASN205B, ASN227B, ASN273B, ASP268B, ASP269B, GLN175D, GLN276B, GLU179D, GLU238B, GLY176D, GLY204B, HIS229B, ILE171D, LEU167D, LEU174D, LEU178D, LEU230B, LYS170D, LYS183D, LYS320B, MET181D, PRO271B, PRO322B, PRO325B, SER177D, SER225B, SER228B, SER232B, THR169D, THR234B, THR270B, TRP266B, TYR323B, VAL224B, VAL267B, VAL324B
• B-E: ASP268B, ASP269B, LEU167E, LYS170E, PRO271B, THR270B
• B-F: GLN175F, GLU179F, LEU178F, LYS183B, LYS183F, LYS186B, LYS186F, PRO325B, SER182F, SER326F, VAL324B
• C-D: ALA258C, ALA278C, ARG187D, ARG279C, ARG279D, ARG321D, ASN205C, ASN205D, ASN227D, ASN273C, ASN273D, ASP263C, ASP268C, ASP268D, ASP269C, ASP269D, GLN276C, GLN276D, GLU236C, GLU238D, GLU240C, GLU261C, GLY204D, GLY259C, HIS229D, LEU184D, LEU230D, LEU303C, LYS183D, LYS203C, LYS203D, LYS244C, LYS274C, LYS320D, PHE272C, PHE272D, PHE280C, PHE280D, PRO271C, PRO271D, PRO322D, PRO325D, SER228D, SER232D, SER235C, SER235D, SER237C, SER265C, SER277C, SER277D, SER326D, THR231D, THR234C, THR234D, THR270C, THR270D, TRP264C, TRP266C, TRP266D, TYR323D, VAL233D, VAL267D, VAL275C, VAL275D, VAL324D
• C-F: ASN180C, LEU184C, PRO325F, SER326F, VAL324F
• D-E: ALA173D, ALA173E, ALA246E, ARG172D, ARG172E, ARG187D, ARG187E, ARG226D, ASN168D, ASN168E, ASN180D, ASN180E, ASN189D, ASN189E, ASN205E, ASN227D, ASP190D, ASP190E, GLN175D, GLN175E, GLN188D, GLN188E, GLN193D, GLN193E, GLN197D, GLU179D, GLU179E, GLU240E, GLY176D, GLY176E, GLY198D, GLY204E, GLY247E, GLY248E, ILE171D, ILE171E, ILE191D, ILE191E, ILE212D, ILE250E, LEU167D, LEU167E, LEU174D, LEU174E, LEU178D, LEU178E, LEU184D, LEU184E, LEU185D, LEU185E, LEU192D, LEU192E, LEU211D, LEU211E, LEU242E, LEU249E, LEU316D, LEU316E, LYS170D, LYS170E, LYS183D, LYS183E, LYS186D, LYS186E, LYS200D, LYS200E, LYS203E, LYS214D, LYS244E, LYS299E, MET181D, MET181E, PHE202E, PHE206E, PHE209D, PHE209E, PHE222D, PHE241E, PHE317D, PRO213D, PRO301E, SER177D, SER177E, SER182D, SER182E, SER196D, SER196E, SER210D, SER210E, SER225D, SER237E, SER302E, THR169E, THR245E, TRP199D, TRP199E, TYR201E, TYR207E, TYR208D, TYR243E, TYR251E, VAL194D, VAL194E, VAL195D, VAL195E
• D-F: ALA173D, ALA173F, ALA246D, ARG172D, ARG172F, ARG187D, ARG187F, ARG226F, ARG321F, ASN168D, ASN168F, ASN180D, ASN180F, ASN189D, ASN189F, ASN205D, ASN227F, ASP190D, ASP190F, CYS223F, GLN175D, GLN175F, GLN188D, GLN188F, GLN193D, GLN193F, GLN197F, GLU179D, GLU179F, GLU240D, GLY176D, GLY176F, GLY198F, GLY204D, GLY247D, GLY248D, ILE171D, ILE171F, ILE191D, ILE191F, ILE212F, ILE250D, LEU167D, LEU167F, LEU174D, LEU174F, LEU178D, LEU178F, LEU184D, LEU184F, LEU185D, LEU185F, LEU192D, LEU192F, LEU211D, LEU211F, LEU242D, LEU249D, LEU316D, LEU316F, LYS170D, LYS170F, LYS183D, LYS183F, LYS186D, LYS186F, LYS200D, LYS200F, LYS203D, LYS214F, LYS244D, MET181D, MET181F, PHE202D, PHE206D, PHE209D, PHE222F, PHE241D, PHE317F, PRO213F, PRO301D, SER165F, SER177D, SER177F, SER182D, SER182F, SER196D, SER196F, SER210D, SER210F, SER225F, SER302D, THR169D, THR169F, THR245D, TRP199D, TRP199F, TYR201D, TYR207D, TYR208F, TYR243D, TYR251D, VAL194D, VAL194F, VAL195D, VAL195F, VAL224F
• E-F: ALA166F, ALA173E, ALA173F, ALA246F, ARG172E, ARG187E, ARG187F, ARG226E, ASN168E, ASN168F, ASN180E, ASN180F, ASN189E, ASN189F, ASN205F, ASN227E, ASP190E, ASP190F, GLN175E, GLN175F, GLN188E, GLN188F, GLN193E, GLN193F, GLN197E, GLU179E, GLU179F, GLU240F, GLY176E, GLY176F, GLY198E, GLY247F, GLY248F, ILE171E, ILE171F, ILE191E, ILE191F, ILE212E, ILE250F, LEU167E, LEU167F, LEU174E, LEU174F, LEU178E, LEU178F, LEU184E, LEU184F, LEU185E, LEU185F, LEU192E, LEU192F, LEU211E, LEU211F, LEU242F, LEU249F, LEU316E, LEU316F, LYS170E, LYS170F, LYS183E, LYS183F, LYS186E, LYS186F, LYS200E, LYS200F, LYS203F, LYS214E, LYS244F, MET181E, MET181F, PHE202F, PHE206F, PHE209F, PHE222E, PHE241F, PHE317E, PRO213E, PRO301F, SER177E, SER177F, SER182E, SER182F, SER196E, SER196F, SER210E, SER210F, SER225E, SER302F, THR245F, TRP199E, TRP199F, TYR201F, TYR207F, TYR208E, TYR243F, TYR251F, VAL194E, VAL194F, VAL195E, VAL195F, VAL224E