3KPS

crystal structure of the lc13 tcr in complex with hla b*4405 bound to eeylqafty a self peptide from the abcd3 protein

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 93
  • Norm. En. per Res.: -4.2566
• 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	-39.1203	-89.219	-369.831	-498.1703	123	17	2	12578	3	50	42
A-C	-50.5946	-18.0632	-327.204	-395.8619	93	27	6	11024	3	16	18
A-D	-18.8845	4.4824	-125.104	-139.506	63	5	1	5035	0	9	10
A-E	-6.7948	0.0	-104.36	-111.1548	53	4	0	4181	2	12	11
C-D	0.0	0.0	-36.8853	-36.8853	25	0	3	1778	0	0	2
C-E	-12.9	0.0	-45.5917	-58.4916	16	2	2	1391	0	0	0
D-E	-104.9428	-94.6656	-579.5	-779.1085	206	26	12	22893	8	42	30

Interface residues

• A-B: ALA117A, ALA11A, ALA125A, ALA15B, ALA236A, ALA246A, ARG111A, ARG12B, ARG14A, ARG17A, ARG202A, ARG21A, ARG234A, ARG239A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN21B, ASN24B, ASP114A, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN8B, GLN96A, GLU229A, GLU232A, GLU46A, GLY120A, GLY207A, GLY237A, GLY26A, GLY29B, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS84B, HIS93A, ILE124A, ILE1B, ILE23A, ILE7B, ILE94A, ILE95A, LEU206A, LEU230A, LEU32A, LEU54B, LEU64B, LEU65B, LYS121A, LYS186A, LYS243A, LYS58B, LYS6B, MET12A, MET98A, MET99B, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PRO14B, PRO235A, PRO32B, SER11B, SER13A, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, THR10A, THR190A, THR200A, THR233A, THR240A, THR24A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR116A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR99A, TYR9A, VAL231A, VAL25A, VAL27B, VAL34A, VAL9B
• A-C: ALA117A, ALA11A, ALA139A, ALA140A, ALA149A, ALA150A, ALA153A, ALA158A, ALA6C, ALA81A, ARG151A, ARG157A, ARG170A, ARG62A, ARG75A, ARG79A, ARG97A, ASN70A, ASN77A, ASP114A, ASP119A, ASP156A, CYS164A, GLN115A, GLN144A, GLN155A, GLN5C, GLN65A, GLN72A, GLN96A, GLU166A, GLU1C, GLU2C, GLU55A, GLU58A, GLU63A, GLU76A, GLY100A, GLY26A, ILE124A, ILE142A, ILE52A, ILE66A, ILE94A, ILE95A, LEU126A, LEU160A, LEU163A, LEU168A, LEU4C, LEU78A, LEU82A, LYS146A, LYS45A, LYS68A, MET5A, PHE22A, PHE33A, PHE36A, PHE7C, PHE8A, SER167A, SER67A, THR143A, THR24A, THR64A, THR69A, THR71A, THR73A, THR80A, THR8C, TRP133A, TRP147A, TRP51A, TYR113A, TYR116A, TYR118A, TYR123A, TYR159A, TYR171A, TYR3C, TYR59A, TYR74A, TYR7A, TYR84A, TYR85A, TYR99A, TYR9A, TYR9C, VAL152A, VAL25A, VAL28A, VAL34A
• A-D: ALA149A, ALA150A, ALA153A, ALA158A, ALA95D, ARG151A, ARG157A, ARG62A, ARG70D, ASN54D, ASN56D, ASN57D, ASN70A, ASP156A, ASP30D, ASP61A, CYS164A, GLN155A, GLN65A, GLN72A, GLU148A, GLU154A, GLU63A, GLU76A, GLY102D, GLY162A, GLY29D, GLY49D, GLY96D, GLY97D, HIS33D, HIS48D, ILE32D, ILE47D, ILE66A, ILE66D, LEU160A, LEU163A, LEU50D, LEU64D, LEU94D, LYS103D, LYS146A, LYS68A, SER28D, SER52D, SER67A, SER99D, THR26D, THR30D, THR51D, THR64A, THR69A, THR73A, THR98D, TRP133A, TRP147A, TYR100D, TYR159A, TYR31D, TYR45D, VAL152A, VAL55D
• A-E: ALA149A, ALA150A, ALA53E, ALA99E, ARG145A, ARG151A, ARG69E, ARG75A, ARG79A, ARG83A, ASN51E, ASN70A, ASN77A, ASP56E, GLN155A, GLN50E, GLN54E, GLN72A, GLN98E, GLU105E, GLU148A, GLU19A, GLU52E, GLU71E, GLU76A, GLU89A, GLY28E, GLY72E, GLY97E, HIS29E, ILE142A, LEU55E, LEU78A, LEU96E, LYS146A, PHE33E, PHE45E, PHE49E, PRO20A, SER31E, SER95E, THR143A, THR69A, THR71A, THR73A, THR80A, TRP147A, TYR100E, TYR48E, TYR74A, TYR84A, VAL152A, VAL30E
• C-D: ALA6C, ALA95D, ASP30D, GLN5C, GLU2C, GLY102D, GLY29D, GLY96D, GLY97D, HIS33D, HIS48D, LEU4C, LEU50D, LEU94D, PHE7C, PRO93D, SER28D, SER99D, THR30D, THR8C, THR98D, TYR100D, TYR31D, TYR3C, TYR45D
• C-E: ALA6C, ALA99E, GLN50E, GLN5C, GLN98E, GLU105E, GLY97E, LEU4C, LEU96E, PHE7C, SER31E, THR8C, TYR100E, TYR48E, TYR9C, VAL30E
• D-E: ALA124D, ALA129E, ALA136E, ALA144E, ALA150E, ALA178D, ALA180D, ALA185E, ALA192E, ALA201E, ALA240E, ALA242E, ALA93E, ALA99E, ARG113E, ARG129D, ARG169D, ARG190E, ARG196E, ARG198E, ARG245E, ARG36D, ARG9E, ASN176D, ASN183D, ASN8D, ASP122D, ASP130D, ASP135D, ASP143D, ASP157D, ASP162D, ASP167D, ASP172D, ASP176E, ASP201D, ASP56E, CYS139D, CYS148E, CYS92E, GLN106E, GLN108D, GLN127D, GLN142E, GLN152D, GLN178E, GLN183E, GLN36E, GLN37D, GLN37E, GLN41D, GLN41E, GLN50E, GLN6E, GLN98E, GLU105E, GLU127E, GLU132E, GLU135E, GLU137E, GLU159E, GLU182E, GLU241E, GLU44D, GLU44E, GLY102D, GLY107D, GLY109D, GLY109E, GLY111E, GLY152E, GLY172E, GLY40E, GLY42D, GLY42E, GLY59E, GLY97E, HIS140E, HIS170E, HIS33D, HIS48D, ILE111D, ILE118D, ILE138E, ILE160D, ILE47D, ILE91D, LEU104D, LEU128D, LEU140D, LEU146E, LEU149E, LEU166D, LEU180E, LEU193E, LEU197E, LEU32E, LEU46E, LEU55E, LEU91E, LEU94D, LYS103D, LYS132D, LYS136D, LYS143E, LYS163D, LYS174D, LYS181E, LYS57E, MET168D, MET171D, PHE106D, PHE108E, PHE131E, PHE141D, PHE144D, PHE173D, PHE187D, PHE193D, PHE203D, PHE203E, PHE204D, PHE33E, PHE45E, PHE49E, PRO110E, PRO121D, PRO123D, PRO133E, PRO177E, PRO179E, PRO184E, PRO205D, PRO39D, PRO43D, PRO43E, PRO93D, SER131D, SER133D, SER134D, SER134E, SER137D, SER139E, SER153D, SER156D, SER170D, SER171E, SER174E, SER175D, SER177D, SER182D, SER194E, SER195E, SER200E, SER206D, SER239E, SER31E, SER40D, SER58E, SER95E, SER99D, THR105D, THR141E, THR142D, THR145E, THR151E, THR161D, THR164D, THR175E, THR202D, THR202E, THR47E, TRP162E, TRP181D, TRP204E, TRP243E, TRP34E, TYR100D, TYR100E, TYR107E, TYR10E, TYR126D, TYR159D, TYR191E, TYR31D, TYR35D, TYR35E, TYR45D, TYR48E, TYR89D, VAL125D, VAL128E, VAL130E, VAL138D, VAL147E, VAL150D, VAL158D, VAL158E, VAL165D, VAL173E, VAL179D, VAL199E, VAL46D, VAL4E, VAL87D, VAL89E