3G3A

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

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 89
  • Norm. En. per Res.: -4.6611
• Hub Node: B(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	-21.0686	-146.5323	-228.636	-396.2369	88	5	3	8492	11	21	17
A-H	-5.0119	-7.7399	-65.0784	-77.8302	39	0	0	2908	0	7	12
B-D	0.0	-0.9218	-119.287	-120.2088	58	2	1	5591	0	6	6
B-G	-12.8774	-5.8889	-65.3562	-84.1225	41	1	0	3075	0	8	13
B-H	0.0	0.0	-31.5821	-31.5821	32	0	0	1479	0	0	6
C-D	-36.689	-147.3644	-230.787	-414.8403	89	6	3	8486	13	21	14
C-F	0.0	-2.2826	-69.863	-72.1456	42	5	0	3217	0	8	12
D-E	-3.452	-10.5963	-74.2964	-88.3448	42	1	0	3335	0	8	13
D-F	0.0	0.0	-33.7628	-33.7628	37	2	0	1507	0	0	7
E-F	-29.5301	-138.2439	-230.584	-398.358	90	7	3	8623	13	21	17
F-H	0.0	-1.7611	-112.654	-114.4151	56	8	1	5545	0	6	6
G-H	-26.4915	-148.1005	-207.126	-381.718	91	12	3	8143	9	20	12

Interface residues

• A-B: ALA107B, ALA110B, ALA31B, ALA95B, ARG112B, ARG146A, ARG155A, ARG57A, ARG61B, ARG73B, ASN106B, ASN110A, ASN113B, ASN139A, ASN151A, ASN39A, ASN44B, ASN46B, ASN59B, ASN62A, ASN74B, ASN85A, ASP101B, ASP141A, ASP143A, ASP14A, ASP38A, ASP48B, ASP52B, ASP59A, ASP61A, ASP86A, CYS94B, GLN57B, GLN81A, GLU35B, GLY102B, GLY104B, GLY136A, GLY49B, GLY71B, HIS105A, ILE106A, ILE58B, ILE98B, LEU108A, LEU109A, LEU138A, LEU140A, LEU36A, LEU56B, LEU58A, LEU60A, LEU75B, LEU82A, LEU84A, LYS116B, LYS97B, MET105B, PHE135A, PRO142A, PRO153A, PRO70B, SER100B, SER144A, SER16A, SER50B, SER60B, SER72B, SER83A, THR104A, THR12A, THR47B, THR51B, THR69B, THR80A, TRP107A, TRP108B, TRP111B, TRP62B, TRP63B, TYR137A, TYR35A, TYR37A, TYR53B, VAL109B, VAL33A, VAL99B
• A-H: ALA122H, ARG114H, ARG125A, ARG125H, ARG155A, ARG5H, ASN113H, ASN139A, ASN37H, ASP119H, ASP141A, ASP143A, CYS115H, CYS30H, GLN121H, GLN129A, GLY117H, GLY132A, GLY136A, HIS105A, HIS130A, ILE124H, ILE127A, LEU133A, LEU140A, LYS33H, PHE135A, PHE34H, PHE38H, PRO131A, PRO142A, SER128A, THR104A, THR118H, TRP123H, TRP126A, VAL120H, VAL134A, VAL29H
• B-D: ALA42B, ALA42D, ALA82B, ALA82D, ARG45B, ARG45D, ARG68B, ARG68D, ASN39B, ASN39D, ASN65B, ASN65D, ASP66B, ASP66D, ASP87B, ASP87D, CYS64B, CYS64D, CYS80B, CYS80D, GLN41B, GLN41D, GLU7B, GLU7D, GLY67B, GLY67D, ILE78B, ILE78D, LEU83B, LEU83D, LEU84B, LEU84D, LYS1B, LYS1D, PHE3B, PHE3D, PRO79B, PRO79D, SER60B, SER60D, SER81B, SER81D, SER85B, SER85D, SER86B, SER86D, THR40B, THR40D, THR43B, THR43D, THR51B, THR51D, THR69B, THR69D, TYR53B, TYR53D, VAL2B, VAL2D
• B-G: ALA122B, ARG114B, ARG125B, ARG125G, ARG155G, ARG5B, ASN113B, ASN139G, ASN37B, ASP119B, ASP141G, ASP143G, CYS115B, CYS30B, GLN121B, GLN129G, GLY132G, GLY136G, HIS105G, HIS130G, ILE124B, ILE127G, LEU100G, LEU103G, LEU133G, LEU140G, LYS101G, LYS33B, PHE135G, PHE34B, PHE38B, PRO131G, PRO142G, SER128G, THR104G, THR118B, TRP123B, TRP126G, VAL120B, VAL134G, VAL29B
• B-H: ALA110B, ALA110H, ARG112B, ARG112H, ARG114B, ARG114H, ARG45B, ARG45H, ASN113B, ASN113H, ASN37B, ASN37H, ASN44B, ASN44H, ASN46B, ASN46H, ASP48B, GLU35B, LYS33B, LYS33H, PHE34B, PHE34H, PHE38B, PHE38H, THR47B, THR47H, TRP108B, TRP108H, VAL109B, VAL109H, VAL2B, VAL2H
• C-D: ALA107D, ALA110D, ALA95D, ARG112D, ARG146C, ARG155C, ARG57C, ARG61D, ARG73D, ASN106D, ASN110C, ASN113D, ASN139C, ASN151C, ASN39C, ASN44D, ASN46D, ASN59D, ASN62C, ASN63C, ASN74D, ASN85C, ASP101D, ASP141C, ASP143C, ASP14C, ASP38C, ASP48D, ASP52D, ASP59C, ASP61C, ASP86C, CYS94D, GLN57D, GLN81C, GLU35D, GLY102D, GLY104D, GLY136C, GLY17C, GLY49D, GLY71D, HIS105C, ILE106C, ILE58D, ILE98D, LEU108C, LEU109C, LEU138C, LEU140C, LEU36C, LEU56D, LEU58C, LEU60C, LEU75D, LEU82C, LEU84C, LYS116D, LYS97D, MET105D, PHE135C, PRO142C, 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-F: ALA122F, ARG114F, ARG125C, ARG125F, ARG155C, ARG5F, ASN113F, ASN139C, ASN37F, ASP119F, ASP141C, ASP143C, ASP98C, CYS115F, CYS30F, GLN121F, GLN129C, GLY117F, GLY126F, GLY132C, HIS105C, HIS130C, ILE124F, ILE127C, LEU133C, LEU140C, LYS101C, LYS33F, PHE135C, PHE34F, PHE38F, PRO131C, PRO142C, SER128C, THR104C, THR118F, TRP123F, TRP126C, TYR122C, VAL120F, VAL134C, VAL29F
• D-E: ALA122D, ARG114D, ARG125D, ARG125E, ARG155E, ARG5D, ASN113D, ASN139E, ASN37D, ASP119D, ASP141E, ASP143E, CYS115D, CYS30D, GLN121D, GLN129E, GLY117D, GLY126D, GLY132E, HIS105E, HIS130E, ILE124D, ILE127E, LEU103E, LEU133E, LEU140E, LYS101E, LYS33D, PHE135E, PHE34D, PHE38D, PRO131E, PRO142E, SER124E, SER128E, THR104E, THR118D, TRP123D, TRP126E, VAL120D, VAL134E, VAL29D
• D-F: ALA107F, ALA110D, ALA110F, ARG112D, ARG112F, ARG114D, ARG114F, ARG45D, ARG45F, ASN113D, ASN113F, ASN37D, ASN37F, ASN44D, ASN44F, ASN46D, ASN46F, ASP48D, ASP48F, CYS115D, GLU35D, GLU35F, LYS33D, LYS33F, PHE34D, PHE34F, PHE38D, PHE38F, THR47D, THR47F, TRP108D, TRP108F, TRP111F, VAL109D, VAL109F, VAL2D, VAL2F
• E-F: ALA107F, ALA110F, ALA31F, ALA95F, ARG112F, ARG146E, ARG155E, ARG57E, ARG61F, ARG73F, ASN106F, ASN110E, ASN113F, ASN139E, ASN151E, ASN39E, ASN44F, ASN46F, ASN59F, ASN62E, ASN74F, ASN85E, ASP101F, ASP141E, ASP143E, ASP14E, ASP38E, ASP48F, ASP52F, ASP59E, ASP61E, ASP86E, CYS94F, GLN57F, GLN81E, GLU35F, GLY102F, GLY104F, GLY132E, GLY136E, GLY49F, GLY71F, HIS105E, ILE106E, ILE58F, ILE98F, LEU108E, LEU109E, LEU138E, LEU140E, LEU36E, LEU56F, LEU58E, LEU60E, LEU75F, LEU82E, LEU84E, LYS116F, LYS97F, MET105F, PHE135E, PRO142E, PRO153E, PRO70F, SER100F, SER144E, SER16E, SER50F, SER60F, SER72F, SER83E, THR104E, THR12E, THR152E, THR47F, THR69F, THR80E, TRP107E, TRP108F, TRP111F, TRP62F, TRP63F, TYR137E, TYR35E, TYR37E, TYR53F, VAL109F, VAL134E, VAL33E, VAL99F
• F-H: ALA42F, ALA42H, ALA82F, ALA82H, ALA90F, ALA90H, ARG45F, ARG45H, ARG68F, ARG68H, ASN39F, ASN39H, ASN65F, ASN65H, ASP66F, ASP66H, ASP87F, ASP87H, CYS80F, CYS80H, GLN41F, GLN41H, GLU7F, GLU7H, GLY67F, GLY67H, LEU83F, LEU83H, LEU84F, LEU84H, LYS1F, LYS1H, PHE3F, PHE3H, PRO79F, PRO79H, SER60F, SER60H, SER81F, SER81H, SER85F, SER85H, SER86F, SER86H, THR40F, THR40H, THR43F, THR43H, THR51F, THR51H, THR69F, THR69H, TYR53F, TYR53H, VAL2F, VAL2H
• G-H: ALA107H, ALA110H, ALA145G, ALA31H, ALA95H, ARG112H, ARG146G, ARG155G, ARG45H, ARG57G, ARG61H, ARG73H, ASN106H, ASN110G, ASN113H, ASN139G, ASN151G, ASN44H, ASN46H, ASN59H, ASN62G, ASN63G, ASN74H, ASN85G, ASP141G, ASP143G, ASP14G, ASP38G, ASP48H, ASP52H, ASP59G, ASP61G, ASP86G, CYS94H, GLN57H, GLN81G, GLU35H, GLY104H, GLY132G, GLY136G, GLY49H, GLY71H, HIS105G, ILE106G, ILE58H, ILE98H, LEU108G, LEU109G, LEU138G, LEU140G, LEU36G, LEU56H, LEU58G, LEU60G, LEU75H, LEU82G, LEU84G, LYS116H, LYS97H, MET105H, PHE135G, PRO142G, PRO153G, PRO70H, SER100H, SER144G, SER16G, SER50H, SER60H, SER72H, SER83G, THR104G, THR12G, THR152G, THR47H, THR51H, THR69H, THR80G, TRP107G, TRP108H, TRP111H, TRP62H, TRP63H, TYR137G, TYR35G, TYR37G, TYR53H, VAL109H, VAL134G, VAL33G, VAL99H