1V6M

peanut lectin with 9mer peptide (iwssagnva)

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 78
  • Norm. En. per Res.: -2.8404
• Hub Node: A(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	-6.7691	0.0	-128.274	-135.0431	73	8	2	6316	0	4	4
A-C	0.0	0.0	-3.8694	-3.8694	6	0	0	227	0	0	0
A-D	-15.0063	0.0	-254.651	-269.6573	103	13	7	11278	0	6	7
A-F	0.0	0.0	-44.2796	-44.2796	31	0	0	2262	0	2	6
B-C	-11.982	0.0	-235.502	-247.484	103	19	7	11136	0	5	7
B-D	0.0	0.0	-3.3393	-3.3393	6	0	0	216	0	0	0
C-D	-41.3801	-64.3897	-105.964	-211.7338	78	20	2	5922	7	13	7
E-F	-16.0376	0.0	-122.132	-138.1696	76	10	2	6297	0	4	4
E-G	0.0	0.0	-3.1216	-3.1216	6	0	0	210	0	0	0
E-H	-16.5831	0.0	-241.077	-257.6601	101	13	7	10977	0	6	7
F-G	-10.8129	0.0	-259.947	-270.7599	102	13	7	11452	0	6	7
F-H	0.0	0.0	-3.7669	-3.7669	7	0	0	236	0	0	0
G-H	-42.081	-67.1042	-112.364	-221.5492	78	13	2	5947	7	13	7

Interface residues

• A-B: ALA17A, ALA17B, ALA1A, ALA1B, ALA49A, ALA49B, ALA58A, ALA58B, ARG201A, ARG201B, ARG53A, ARG53B, ASN15A, ASN15B, ASN19A, ASN19B, ASN7A, ASN7B, ASN9A, ASN9B, GLU13A, GLU13B, GLU200A, GLU200B, GLU2A, GLU2B, GLU92A, GLU92B, GLY14A, GLY14B, GLY30B, ILE18A, ILE18B, ILE54A, ILE54B, LEU229A, LEU229B, MET50A, MET50B, PHE11A, PHE11B, PHE6A, PHE6B, PHE8A, PHE8B, PRO16A, PRO16B, PRO51A, PRO51B, SER10A, SER10B, SER12A, SER12B, SER28B, SER56A, SER56B, SER5A, SER5B, THR231A, THR231B, THR232A, THR232B, THR3A, THR3B, THR59A, TYR48A, TYR48B, VAL202A, VAL202B, VAL4A, VAL4B, VAL52A, VAL52B
• A-C: ASN182C, ASN7A, ASN9A, ASP181C, ASP184C, GLY183C
• A-D: ALA177A, ALA177D, ALA189A, ALA189D, ALA1A, ALA1D, ALA63A, ALA63D, ASN180A, ASN180D, ASN182A, ASN182D, ASP168A, ASP168D, ASP184A, ASP184D, GLN190A, GLN190D, GLU2A, GLU2D, GLY183A, GLY183D, ILE140A, ILE140D, ILE166A, ILE166D, ILE185A, ILE185D, ILE188A, ILE188D, ILE230A, ILE230D, LEU174A, LEU174D, LEU229A, LEU229D, LEU66A, LEU66D, LYS149A, LYS149D, LYS162A, LYS162D, LYS172A, LYS172D, PHE225A, PHE225D, PHE65A, PHE65D, PRO152A, PRO152D, SER169A, SER169D, SER170A, SER170D, SER175A, SER175D, SER227A, SER227D, SER5A, SER5D, SER64A, SER64D, SER68A, SER68D, THR150A, THR150D, THR164A, THR164D, THR171A, THR171D, THR173A, THR173D, THR179A, THR179D, THR186A, THR186D, THR187A, THR187D, THR226A, THR226D, THR228A, THR228D, THR232D, THR3A, THR3D, THR67A, THR67D, TYR167A, TYR167D, VAL151A, VAL151D, VAL163A, VAL163D, VAL165A, VAL165D, VAL176A, VAL176D, VAL178A, VAL178D, VAL191A, VAL191D, VAL4A, VAL4D
• A-F: ARG215A, ARG215F, ASN36A, ASN36F, ASN38A, ASN38F, ASN41A, ASN41F, ASP78A, ASP78F, ASP80A, ASP80F, GLY213A, GLY213F, GLY214A, GLY214F, ILE76A, ILE76F, LEU212A, LEU212F, LEU37A, LEU37F, LYS39A, LYS39F, LYS77A, LYS77F, SER211F, TYR79A, TYR79F, VAL40A, VAL40F
• B-C: ALA177B, ALA177C, ALA189B, ALA189C, ALA1B, ALA1C, ALA63B, ALA63C, ASN180B, ASN180C, ASN182B, ASN182C, ASP168B, ASP168C, ASP184B, ASP184C, GLN190B, GLN190C, GLU2B, GLU2C, GLY183B, GLY183C, ILE140B, ILE140C, ILE166B, ILE166C, ILE185B, ILE185C, ILE188B, ILE188C, ILE230B, ILE230C, LEU174B, LEU174C, LEU229B, LEU229C, LEU66B, LEU66C, LYS149B, LYS149C, LYS162B, LYS162C, LYS172B, LYS172C, PHE225B, PHE225C, PHE65B, PHE65C, PRO152B, PRO152C, SER169B, SER169C, SER170B, SER170C, SER175B, SER175C, SER227B, SER227C, SER5B, SER5C, SER64B, SER64C, SER68B, SER68C, THR150B, THR150C, THR164B, THR164C, THR171B, THR171C, THR173B, THR173C, THR179B, THR179C, THR186B, THR186C, THR187B, THR187C, THR226B, THR226C, THR228B, THR228C, THR3B, THR3C, THR67B, THR67C, TRP153C, TYR167B, TYR167C, VAL151B, VAL151C, VAL163B, VAL163C, VAL165B, VAL165C, VAL176B, VAL176C, VAL178B, VAL178C, VAL191B, VAL191C, VAL4B, VAL4C
• B-D: ASN182D, ASN7B, ASN9B, ASP184D, GLY183D, PHE8B
• C-D: ALA159C, ALA159D, ARG221C, ARG221D, ASN15C, ASN182C, ASN182D, ASN29C, ASN29D, ASN31C, ASN31D, ASN36D, ASN38D, ASN9C, ASN9D, ASP181C, ASP181D, ASP75C, ASP75D, GLN33C, GLN33D, GLU72C, GLU72D, GLY158C, GLY158D, GLY30C, GLY30D, HIS218C, HIS218D, ILE217C, ILE217D, ILE220C, ILE220D, ILE32C, ILE76C, ILE76D, LEU219C, LEU219D, LEU27C, LEU27D, LEU37C, LEU37D, LYS162C, LYS162D, LYS74C, LYS74D, LYS77C, LYS77D, MET73C, MET73D, PHE11C, PHE11D, PHE71C, PHE71D, PHE8C, PHE8D, PRO16C, SER10C, SER10D, SER12C, SER12D, SER157C, SER157D, SER222C, SER222D, SER28C, SER28D, SER70C, THR25C, THR25D, THR35C, THR35D, VAL160C, VAL160D, VAL161C, VAL161D, VAL26C, VAL26D
• E-F: ALA17E, ALA17F, ALA1E, ALA1F, ALA49E, ALA49F, ALA58E, ALA58F, ARG201E, ARG201F, ARG53E, ARG53F, ASN15E, ASN15F, ASN19E, ASN19F, ASN7E, ASN7F, ASN9E, ASN9F, GLU13E, GLU13F, GLU200E, GLU200F, GLU2E, GLU2F, GLU92E, GLU92F, GLY14E, GLY14F, GLY30F, ILE18E, ILE18F, ILE54E, ILE54F, LEU229E, LEU229F, MET50E, MET50F, PHE11E, PHE11F, PHE20E, PHE6E, PHE6F, PHE8E, PHE8F, PRO16E, PRO16F, PRO51E, PRO51F, SER10E, SER10F, SER12E, SER12F, SER28E, SER28F, SER56E, SER56F, SER5E, SER5F, THR231E, THR231F, THR232E, THR232F, THR3E, THR3F, THR59E, THR59F, TYR48E, TYR48F, VAL202E, VAL202F, VAL4E, VAL4F, VAL52E, VAL52F
• E-G: ASN182G, ASN7E, ASN9E, ASP181G, ASP184G, GLY183G
• E-H: ALA177E, ALA177H, ALA189E, ALA189H, ALA1E, ALA1H, ALA63E, ALA63H, ASN180E, ASN180H, ASN182E, ASN182H, ASP168E, ASP168H, ASP184E, ASP184H, GLN190E, GLN190H, GLU2E, GLU2H, GLY183E, GLY183H, ILE140E, ILE140H, ILE166E, ILE166H, ILE185E, ILE185H, ILE188E, ILE188H, ILE230E, ILE230H, LEU174E, LEU174H, LEU229E, LEU229H, LEU66E, LEU66H, LYS149E, LYS149H, LYS162E, LYS162H, LYS172E, LYS172H, PHE225E, PHE225H, PHE65E, PHE65H, PRO152E, PRO152H, SER169E, SER169H, SER170E, SER170H, SER175E, SER175H, SER227E, SER227H, SER5E, SER5H, SER64E, SER64H, SER68E, SER68H, THR150E, THR164E, THR164H, THR171E, THR171H, THR173E, THR173H, THR179E, THR179H, THR186E, THR186H, THR187E, THR187H, THR226E, THR226H, THR228E, THR228H, THR3E, THR3H, THR67E, THR67H, TYR167E, TYR167H, VAL151E, VAL151H, VAL163E, VAL163H, VAL165E, VAL165H, VAL176E, VAL176H, VAL178E, VAL178H, VAL191E, VAL191H, VAL4E, VAL4H
• F-G: ALA177F, ALA177G, ALA189F, ALA189G, ALA1F, ALA1G, ALA63F, ALA63G, ASN180F, ASN180G, ASN182F, ASN182G, ASP168F, ASP168G, ASP184F, ASP184G, GLN190F, GLN190G, GLU2F, GLU2G, GLY183F, GLY183G, ILE140F, ILE140G, ILE166F, ILE166G, ILE185F, ILE185G, ILE188F, ILE188G, ILE230F, ILE230G, LEU174F, LEU174G, LEU229F, LEU229G, LEU66F, LEU66G, LYS149F, LYS149G, LYS162F, LYS162G, LYS172F, LYS172G, PHE225F, PHE225G, PHE65F, PHE65G, PRO152F, PRO152G, SER169F, SER169G, SER170F, SER170G, SER175F, SER175G, SER227F, SER227G, SER5F, SER5G, SER64F, SER64G, SER68F, SER68G, THR150F, THR150G, THR164F, THR164G, THR171F, THR171G, THR173F, THR173G, THR179F, THR179G, THR186F, THR186G, THR187F, THR187G, THR226F, THR226G, THR228F, THR228G, THR3F, THR3G, THR67F, THR67G, TYR167F, TYR167G, VAL151F, VAL151G, VAL163F, VAL163G, VAL165F, VAL165G, VAL176F, VAL176G, VAL178F, VAL178G, VAL191F, VAL191G, VAL4F, VAL4G
• F-H: ASN182H, ASN7F, ASN9F, ASP181H, ASP184H, GLY183H, PHE8F
• G-H: ALA159G, ALA159H, ARG221G, ARG221H, ASN15G, ASN182G, ASN182H, ASN29G, ASN29H, ASN31G, ASN31H, ASN36H, ASN38H, ASN9G, ASN9H, ASP181G, ASP181H, ASP75G, ASP75H, GLN33G, GLN33H, GLU72G, GLU72H, GLY158G, GLY158H, GLY30G, GLY30H, HIS218G, HIS218H, ILE217G, ILE217H, ILE220G, ILE220H, ILE32G, ILE76G, ILE76H, LEU219G, LEU219H, LEU27G, LEU27H, LEU37G, LEU37H, LYS162G, LYS162H, LYS74G, LYS74H, LYS77G, LYS77H, MET73G, MET73H, PHE11G, PHE11H, PHE71G, PHE71H, PHE8G, PHE8H, PRO16G, SER10G, SER10H, SER12G, SER12H, SER157G, SER157H, SER222G, SER222H, SER28G, SER28H, SER70G, THR25G, THR25H, THR35G, THR35H, VAL160G, VAL160H, VAL161G, VAL161H, VAL26G, VAL26H