1L0X

tcr beta chain complexed with streptococcal superantigen spea

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 62
  • Norm. En. per Res.: -2.8661
• Hub Node: A(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	-40.0953	-4.621	-132.984	-177.7002	62	6	1	5252	0	11	11
A-C	-31.0772	-3.2551	-118.769	-153.1013	74	4	7	5073	0	20	13
A-D	0.0	-3.6415	-13.5757	-17.2172	38	0	0	1205	0	7	12
B-C	-2.9444	0.0	-18.6103	-21.5547	40	5	0	1465	0	6	12
C-D	-28.2155	1.2433	-127.657	-154.6291	59	6	1	5266	0	10	11

Interface residues

• A-B: ALA52A, ALA67A, ALA93B, ALA97B, ARG69A, ARG95B, ASN162B, ASN17B, ASN20B, ASN28A, ASN30A, ASN31A, ASN54B, ASP59A, CYS87B, GLN194B, GLN19B, GLN72A, GLN74A, GLU56A, GLU73A, GLU80A, GLU82B, GLU94B, GLY163B, GLY51A, GLY53A, GLY58A, HIS29A, HIS47A, HIS85B, ILE21B, ILE78A, LEU18B, LEU24B, LEU86B, LYS16B, LYS57A, LYS66A, PHE192B, PHE23B, PHE75A, PRO164B, PRO53B, PRO61A, PRO70A, SER49A, SER54A, SER68A, SER71A, SER76A, SER96B, THR161B, THR193B, THR55A, TYR22B, TYR48A, TYR50A, TYR65A, TYR83B, TYR84B, VAL15B
• A-C: ALA102A, ALA102C, ALA3A, ALA93A, ALA93C, ARG36A, ARG36C, ARG44A, ARG44C, ARG98A, ARG98C, ARG9C, ASP38A, ASP38C, ASP59A, ASP59C, CYS92A, CYS92C, GLN106A, GLN106C, GLN37A, GLN37C, GLN6A, GLN6C, GLU105A, GLU105C, GLY109A, GLY109C, GLY111A, GLY111C, GLY40A, GLY40C, GLY42A, GLY42C, GLY58A, GLY58C, GLY97A, HIS169C, HIS41A, HIS41C, ILE60A, ILE60C, LEU43A, LEU43C, LEU45A, LEU45C, PHE107A, PHE107C, PHE108A, PHE108C, PHE91A, PHE91C, PRO110A, PRO110C, PRO176A, PRO176C, SER100A, SER100C, THR39A, THR39C, TYR101A, TYR101C, TYR35A, TYR35C, TYR48A, TYR48C, TYR50A, TYR50C, TYR90A, TYR90C, VAL4A, VAL4C, VAL89A, VAL89C
• A-D: ALA200A, ARG195A, ARG197A, ASN139A, ASN64D, ASP45D, GLN141A, GLN65D, GLU191D, GLU61D, GLU91D, GLY171A, HIS44D, LEU41D, LEU42D, LEU86D, LYS140A, LYS142A, LYS196D, LYS202D, LYS59D, LYS63D, MET199D, PHE202A, PRO176A, SER170A, SER173A, SER195D, SER199A, SER43D, SER90D, THR193D, THR201A, TYR100D, TYR83D, TYR88D, VAL172A, VAL198A
• B-C: ALA138C, ALA200C, ALA68B, ARG197C, ASN139C, ASN64B, ASP45B, GLN141C, GLN65B, GLU191B, GLU61B, GLU66B, GLY171C, HIS44B, HIS85B, LEU41B, LEU42B, LEU62B, LEU86B, LYS140C, LYS142C, LYS196B, LYS202B, LYS63B, MET199B, MET67B, PHE202C, PRO176C, SER170C, SER173C, SER195B, SER199C, SER43B, THR193B, THR201C, TYR100B, TYR83B, TYR88B, VAL172C, VAL198C
• C-D: ALA52C, ALA67C, ALA93D, ARG69C, ARG95D, ASN162D, ASN17D, ASN20D, ASN28C, ASN30C, ASN31C, ASN54D, ASP59C, GLN194D, GLN19D, GLN72C, GLN74C, GLU56C, GLU73C, GLU80C, GLU82D, GLU94D, GLY163D, GLY51C, GLY53C, GLY58C, HIS47C, HIS85D, ILE21D, ILE78C, LEU18D, LEU24D, LEU77C, LEU86D, LYS16D, LYS57C, LYS66C, PHE192D, PHE23D, PHE75C, PRO164D, PRO53D, PRO61C, PRO70C, SER49C, SER54C, SER68C, SER71C, SER76C, THR161D, THR193D, THR55C, TYR22D, TYR48C, TYR50C, TYR65C, TYR83D, TYR84D, VAL15D