1TY0

crystal structure of the streptococcal pyrogenic exotoxin j (spe-j)

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 57
  • Norm. En. per Res.: -2.2618
• 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	-2.151	-36.7457	-168.48	-207.3768	106	4	4	7157	0	25	37
A-C	-2.3774	2.0824	-128.627	-128.922	57	6	0	5249	0	19	20

Interface residues

• A-B: ALA17A, ALA17B, ARG183A, ARG183B, ARG81A, ARG81B, ASN120A, ASN15A, ASN15B, ASN49B, ASN98A, ASP125A, ASP125B, ASP150B, ASP24A, ASP24B, ASP83A, ASP83B, GLN13A, GLN13B, GLN140A, GLN140B, GLN144A, GLN144B, GLU19A, GLU19B, GLY74A, GLY74B, ILE119A, ILE122A, ILE122B, ILE124B, ILE20A, ILE20B, ILE21A, ILE21B, ILE78A, ILE78B, ILE87A, LEU118A, LEU12A, LEU12B, LEU142A, LEU14B, LEU75A, LEU75B, LYS116A, LYS116B, LYS123A, LYS123B, LYS137B, LYS147A, LYS46A, LYS46B, LYS47A, LYS47B, LYS48A, LYS48B, MET143A, MET143B, PHE136A, PHE136B, PHE50A, PHE50B, PHE73A, PHE73B, PHE79A, PHE79B, PRO121A, PRO121B, PRO22A, PRO22B, PRO76A, PRO76B, SER181A, SER44B, SER97A, SER99A, THR145A, THR145B, THR182A, THR26A, THR26B, THR80A, THR80B, TYR141A, TYR141B, TYR146A, TYR16A, TYR16B, TYR18A, TYR18B, TYR25A, TYR25B, TYR45A, TYR45B, TYR77A, TYR77B, TYR82A, TYR82B, TYR85A, TYR85B, TYR86A, TYR86B, VAL23A, VAL23B
• A-C: ALA163A, ASN101C, ASN165A, ASN165C, ASN167A, ASN167C, ASN197A, ASN197C, ASN96C, ASN98C, ASP125C, ASP192A, ASP200A, ASP200C, ASP205A, GLU100C, GLU161A, GLU170A, GLU57A, GLY166A, GLY166C, HIS169A, HIS169C, HIS203A, HIS203C, ILE104C, ILE124C, ILE128C, ILE131A, ILE162A, ILE164A, ILE164C, ILE60A, LYS103C, LYS123C, LYS126C, LYS168A, LYS194A, LYS199A, LYS199C, LYS63A, MET198C, PHE129C, PHE172A, PHE201C, PRO127C, SER102C, SER171A, SER202A, SER202C, SER58A, SER97C, SER99C, TYR207A, TYR59A, VAL105C, VAL95C