3G3B

structure of a lamprey variable lymphocyte receptor mutant in complex with a protein antigen

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 78
  • Norm. En. per Res.: -4.7464
• 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	-28.6956	-154.1951	-216.589	-399.4797	89	7	3	8112	12	21	15
A-D	-23.1758	5.4799	-23.1505	-40.8464	32	2	0	1569	0	4	5
B-C	0.0	0.0	-25.1806	-25.1806	34	2	0	1461	0	2	6
B-H	0.0	-1.6683	-115.373	-117.0413	54	0	1	5267	0	6	6
C-D	-28.4488	-150.8606	-197.447	-376.7564	85	8	3	7858	11	21	12
C-H	0.0	-4.3098	-26.837	-31.1468	29	0	0	1304	0	2	3
E-F	-28.769	-151.8006	-198.128	-378.6976	85	6	3	7583	10	22	13
E-H	-10.8229	-0.9151	-93.0058	-104.7438	43	1	0	3715	0	10	18
F-G	-13.7605	-6.9523	-96.8694	-117.5823	43	1	0	3857	0	9	17
F-H	0.0	0.0	-31.7716	-31.7716	30	0	0	1398	0	0	6
G-H	-28.9914	-150.7824	-190.443	-370.2168	78	10	3	7245	10	14	13

Interface residues

• A-B: ALA107B, ALA110B, ALA95B, ARG112B, ARG146A, ARG155A, ARG45B, ARG57A, ARG61B, ARG73B, ASN103B, ASN106B, ASN110A, ASN113B, ASN139A, ASN151A, ASN44B, ASN46B, ASN59B, ASN62A, ASN85A, ASP101B, ASP141A, ASP143A, ASP14A, ASP38A, ASP48B, ASP52B, ASP59A, ASP61A, ASP86A, CYS94B, GLN57B, GLN81A, GLU35B, GLY104B, GLY136A, GLY149A, GLY17A, GLY49B, GLY71B, HIS105A, HIS142A, ILE106A, ILE58B, ILE98B, LEU108A, LEU109A, LEU138A, LEU140A, LEU34A, LEU36A, LEU56B, LEU58A, LEU60A, LEU75B, LEU82A, LEU84A, LYS116B, MET105B, PHE135A, PRO153A, PRO70B, SER100B, SER144A, SER16A, SER50B, SER60B, SER72B, SER83A, THR104A, THR12A, THR150A, THR47B, THR51B, THR69B, THR80A, TRP107A, TRP108B, TRP111B, TRP62B, TRP63B, TYR137A, TYR35A, TYR37A, TYR53B, VAL109B, VAL33A, VAL99B
• A-D: ALA21A, ARG14D, ARG21D, ARG40A, ASN19D, ASN39A, ASP18D, ASP38A, CYS6A, GLN5A, GLY104D, GLY16D, GLY17A, GLY22D, HIS15D, LEU17D, LEU20A, LYS13D, LYS18A, LYS96D, LYS97D, MET12D, PRO3A, SER100D, SER16A, SER19A, SER22A, SER4A, SER7A, TYR20D, TYR23D, VAL99D
• B-C: ALA21C, ALA82B, ALA90B, ARG40C, ASN39C, ASN62C, ASN74B, ASN77B, ASN93B, ASP38C, ASP87B, CYS76B, CYS80B, CYS94B, GLN5C, GLN64C, GLN88C, GLY17C, HIS15B, ILE41C, ILE78B, LEU20C, LEU75B, LEU83B, LYS18C, LYS96B, LYS97B, PRO79B, SER19C, SER22C, SER81B, SER85B, THR42C, THR89B
• B-H: ALA42B, ALA42H, ALA82B, ALA82H, ARG45B, ARG45H, ARG68B, ARG68H, ASN39B, ASN39H, ASN65B, ASN65H, ASP66B, ASP66H, ASP87B, ASP87H, CYS80B, CYS80H, GLN41B, GLN41H, GLU7B, GLU7H, GLY67B, GLY67H, LEU83B, LEU83H, LEU84B, LEU84H, LYS1B, LYS1H, PHE3B, PHE3H, PRO79B, PRO79H, SER60B, SER60H, SER81B, SER81H, SER85B, SER85H, SER86B, SER86H, THR40B, THR40H, THR43B, THR43H, THR51B, THR51H, THR69B, THR69H, TYR53B, TYR53H, VAL2B, VAL2H
• C-D: ALA107D, ALA110D, ALA95D, ARG112D, ARG146C, ARG155C, ARG45D, ARG57C, ARG61D, ARG73D, ASN106D, ASN110C, ASN113D, ASN139C, ASN151C, ASN44D, ASN46D, ASN59D, ASN62C, ASN74D, ASN85C, ASP141C, ASP143C, ASP14C, ASP38C, ASP48D, ASP52D, ASP59C, ASP61C, ASP86C, CYS94D, GLN57D, GLN81C, GLU35D, GLY104D, GLY136C, GLY17C, GLY49D, GLY71D, HIS105C, HIS142C, ILE106C, ILE58D, ILE98D, LEU108C, LEU109C, LEU138C, LEU140C, LEU36C, LEU56D, LEU58C, LEU60C, LEU75D, LEU82C, LEU84C, LYS116D, MET105D, PHE135C, PRO153C, PRO70D, SER100D, SER144C, SER16C, SER50D, SER60D, SER72D, SER83C, THR104C, THR12C, THR47D, THR51D, THR69D, THR80C, TRP107C, TRP108D, TRP111D, TRP62D, TRP63D, TYR137C, TYR35C, TYR37C, TYR53D, VAL109D, VAL33C, VAL99D
• C-H: ALA1C, ALA82H, ALA90H, ASN65H, ASN74H, ASN77H, ASN93H, ASP87H, CYS2C, CYS6C, CYS76H, CYS8C, GLN5C, GLY17C, HIS15H, ILE78H, ILE88H, LEU20C, LEU83H, LYS18C, PRO3C, PRO79H, SER19C, SER4C, SER7C, SER81H, SER85H, THR25C, THR89H
• E-F: ALA107F, ALA110F, ALA95F, ARG112F, ARG146E, ARG155E, ARG45F, ARG57E, ARG61F, ARG73F, ASN106F, ASN110E, ASN113F, ASN139E, ASN151E, ASN44F, ASN46F, ASN59F, ASN62E, ASN74F, ASN85E, ASP101F, ASP141E, ASP143E, ASP14E, ASP38E, ASP48F, ASP52F, ASP59E, ASP61E, ASP86E, CYS94F, GLN57F, GLN81E, GLU35F, GLY104F, GLY136E, GLY49F, GLY71F, HIS105E, HIS142E, ILE106E, ILE58F, ILE98F, LEU108E, LEU109E, LEU138E, LEU140E, LEU34E, LEU36E, LEU56F, LEU58E, LEU60E, LEU75F, LEU82E, LEU84E, LYS116F, MET105F, PHE135E, PRO153E, PRO70F, SER144E, SER16E, SER50F, SER60F, SER72F, SER83E, THR104E, THR12E, THR47F, THR51F, THR69F, THR80E, TRP107E, TRP108F, TRP111F, TRP132E, TRP62F, TRP63F, TYR137E, TYR35E, TYR37E, TYR53F, VAL109F, VAL33E
• E-H: ALA122H, ARG114H, ARG125E, ARG125H, ARG155E, ARG5H, ASN113H, ASN139E, ASN37H, ASP119H, ASP141E, ASP143E, ASP98E, CYS115H, CYS30H, CYS6H, GLN121H, GLN129E, GLY117H, GLY126H, GLY136E, HIS105E, HIS130E, HIS142E, ILE124H, ILE127E, LEU133E, LEU140E, LYS116H, LYS33H, PHE135E, PHE34H, PHE38H, PRO131E, SER128E, THR104E, THR118H, TRP123H, TRP126E, TRP132E, VAL120H, VAL134E, VAL29H
• F-G: ALA122F, ALA156G, ARG114F, ARG125F, ARG125G, ARG155G, ARG5F, ASN113F, ASN139G, ASN37F, ASP119F, ASP141G, ASP143G, CYS115F, CYS127F, CYS30F, CYS6F, GLN121F, GLN129G, GLY117F, GLY126F, GLY136G, HIS105G, HIS130G, HIS142G, ILE124F, ILE127G, LEU133G, LEU140G, LYS116F, LYS33F, PHE135G, PHE34F, PHE38F, PRO131G, SER128G, THR118F, TRP123F, TRP126G, TRP132G, VAL120F, VAL134G, VAL29F
• F-H: ALA110F, ALA110H, ARG112F, ARG112H, ARG114F, ARG114H, ARG45F, ARG45H, ASN113F, ASN113H, ASN37F, ASN37H, ASN44F, ASN44H, ASN46F, ASN46H, GLU35F, LYS33F, LYS33H, PHE34F, PHE34H, PHE38F, THR47F, THR47H, TRP108F, TRP108H, VAL109F, VAL109H, VAL2F, VAL2H
• G-H: ALA107H, ALA110H, ALA95H, ARG112H, ARG146G, ARG155G, ARG45H, ARG57G, ARG61H, ARG73H, ASN106H, ASN113H, ASN139G, ASN44H, ASN46H, ASN59H, ASN74H, ASN85G, ASP141G, ASP143G, ASP48H, ASP52H, ASP59G, ASP61G, CYS94H, GLN57H, GLN81G, GLU35H, GLY104H, GLY136G, GLY49H, GLY71H, HIS105G, HIS142G, ILE106G, ILE58H, ILE98H, LEU108G, LEU109G, LEU138G, LEU140G, LEU36G, LEU56H, LEU58G, LEU60G, LEU75H, LEU82G, LEU84G, LYS116H, LYS97H, MET105H, PHE135G, PRO153G, PRO70H, SER144G, SER50H, SER60H, SER72H, SER83G, THR104G, THR12G, THR152G, THR47H, THR51H, THR69H, THR80G, TRP107G, TRP108H, TRP111H, TRP62H, TRP63H, TYR137G, TYR35G, TYR37G, TYR53H, VAL109H, VAL33G, VAL99H