2IJ0

structural basis of t cell specificity and activation by the bacterial superantigen toxic shock syndrome toxin-1

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 91
  • Norm. En. per Res.: -3.7986
• 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-E	-61.8478	-23.3273	-260.494	-345.6691	91	17	1	9738	3	25	29
A-B	-4.4854	-22.8968	-49.1165	-76.4987	48	0	0	2642	2	21	22
E-C	-67.3704	5.3656	-138.028	-200.0328	63	13	1	5706	0	6	7
B-C	-68.3517	-7.5798	-259.94	-335.8715	90	24	3	9877	2	24	29

Interface residues

• A-E: ALA47E, ALA54E, ALA70E, ALA82E, ARG145A, ARG36E, ARG68A, ASN53E, ASN65A, ASN68E, ASP11A, ASP18A, ASP39A, ASP63E, ASP86E, GLN136A, GLN139A, GLN51E, GLN58E, GLN73A, GLN84A, GLU132A, GLU57E, GLU85E, GLY142A, GLY16A, GLY52E, GLY59E, GLY78A, HIS135A, HIS141A, HIS30E, HIS50E, HIS69E, HIS74A, HIS82A, HIS83E, ILE133A, ILE140A, ILE55E, ILE67E, ILE81A, LEU10A, LEU137A, LEU143A, LEU66E, LYS114A, LYS118A, LYS149A, LYS62E, LYS64E, LYS67A, LYS70A, LYS71A, LYS7A, MET46E, PHE119A, PHE131A, PHE20A, PHE38E, PHE52E, PHE65E, PHE83A, PRO117A, PRO72E, SER146A, SER14A, SER15A, SER17A, SER49E, SER71E, SER72A, SER81E, THR128A, THR138A, THR19A, THR48E, THR66A, THR69A, THR73E, THR75A, THR80E, TRP116A, TRP12A, TYR115A, TYR13A, TYR56E, TYR80A, VAL60E, VAL61E, VAL79E
• A-B: ASN22A, ASN22B, ASN37A, ASN37B, ASP39A, ASP39B, ASP63B, GLU24A, GLU24B, GLU60A, GLU77A, GLU77B, GLU92B, GLY40A, GLY40B, GLY59A, GLY59B, GLY78A, GLY78B, HIS74B, ILE42A, ILE42B, LEU26A, LEU26B, LYS36A, LYS36B, LYS58A, LYS58B, LYS61A, LYS61B, LYS93B, SER23A, SER23B, SER41A, SER41B, SER76A, SER76B, THR21A, THR21B, THR38A, THR38B, THR75B, THR79A, THR79B, THR91A, THR91B, TYR80A, TYR80B
• E-C: ALA82C, ALA82E, ARG24C, ARG24E, GLN113C, GLN113E, GLN6C, GLN6E, GLU22C, GLU22E, GLY111C, GLY111E, GLY16C, GLY16E, HIS7C, HIS7E, ILE12C, ILE12E, ILE21E, LEU114C, LEU114E, LEU117C, LEU117E, LYS14C, LYS14E, LYS20C, LYS20E, MET10C, MET10E, PRO110C, PRO110E, PRO8C, PRO8E, SER15C, SER15E, SER18C, SER18E, SER5C, SER5E, SER9C, SER9E, THR112C, THR112E, THR115C, THR115E, THR17C, THR17E, THR78C, THR78E, THR80C, THR80E, VAL116C, VAL116E, VAL11C, VAL11E, VAL13C, VAL13E, VAL19C, VAL19E, VAL4C, VAL4E, VAL79C, VAL79E
• B-C: ALA47C, ALA54C, ALA70C, ALA82C, ARG145B, ARG36C, ARG68B, ASN53C, ASN65B, ASN68C, ASP11B, ASP18B, ASP39B, ASP63C, ASP86C, GLN136B, GLN139B, GLN51C, GLN58C, GLN73B, GLN84B, GLU132B, GLU57C, GLU85C, GLY142B, GLY16B, GLY52C, GLY59C, HIS135B, HIS141B, HIS30C, HIS50C, HIS69C, HIS74B, HIS82B, HIS83C, ILE133B, ILE140B, ILE55C, ILE67C, ILE81B, LEU10B, LEU137B, LEU143B, LEU66C, LYS114B, LYS118B, LYS149B, LYS62C, LYS64C, LYS67B, LYS70B, LYS71B, LYS7B, MET46C, PHE119B, PHE131B, PHE20B, PHE38C, PHE52C, PHE65C, PHE83B, PRO117B, PRO72C, SER146B, SER14B, SER15B, SER17B, SER41B, SER49C, SER71C, SER72B, SER81C, THR128B, THR138B, THR19B, THR48C, THR66B, THR69B, THR80C, TRP116B, TRP12B, TYR115B, TYR13B, TYR144B, TYR56C, TYR80B, VAL60C, VAL61C, VAL79C