3I5V

crystal structure of beta toxin 275-280 from staphylococcus aureus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 77
  • Norm. En. per Res.: -2.152
• 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	0.0	0.0	7.1603	7.1603	35	14	0	1330	0	6	6
A-C	-11.0262	9.3962	-47.919	-49.549	47	4	1	2548	1	25	22
A-D	-35.741	2.3132	-132.274	-165.7017	77	10	7	6408	0	28	27
B-C	-16.0068	1.4156	-79.332	-93.9233	66	3	0	4036	0	12	12
C-D	-17.0207	0.0	-92.3291	-109.3498	56	3	0	3790	0	12	9

Interface residues

• A-B: ALA160A, ALA160B, ASN126A, ASN126B, ASP127A, ASP127B, ASP163A, ASP163B, CYS122A, CYS122B, CYS158A, CYS158B, GLY121A, GLY123A, GLY123B, GLY159A, GLY159B, GLY161A, GLY161B, HIS162A, HIS162B, ILE166A, ILE166B, LYS165A, LYS165B, SER93A, SER93B, SER94A, SER94B, THR95A, THR95B, TYR92A, TYR92B, VAL96A, VAL96B
• A-C: ALA160A, ALA59C, ARG157A, ARG164A, ARG167A, ASN198A, ASN27C, ASP163A, ASP206A, ASP273C, ASP275C, ASP35C, ASP56C, CYS158A, GLN30C, GLU154A, GLU203A, GLY159A, GLY161A, GLY200A, GLY276C, GLY29C, GLY58C, HIS162A, LYS165A, LYS205A, LYS241A, LYS32C, LYS62C, PHE204A, PRO202A, PRO26C, PRO271C, SER156A, SER21C, THR201A, THR22C, TRP272C, TRP28C, TYR25C, TYR277C, TYR279C, TYR31C, VAL197A, VAL23C, VAL274C, VAL278C
• A-D: ALA219A, ALA219D, ASN198A, ASN198D, ASN222A, ASN222D, ASN239A, ASN239D, ASN262A, ASN262D, ASP215A, ASP215D, ASP226A, ASP226D, GLN228A, GLN228D, GLN259A, GLN259D, GLU243A, GLU243D, GLU263A, GLU263D, GLY200A, GLY200D, GLY220A, GLY220D, GLY240A, GLY240D, HIS221A, HIS221D, HIS244A, HIS244D, LEU208D, LEU217A, LEU217D, LEU260A, LEU260D, LYS199A, LYS199D, LYS205A, LYS205D, LYS241A, LYS241D, LYS258A, LYS258D, LYS293A, LYS293D, PHE204A, PHE204D, PRO202A, PRO202D, PRO242A, PRO242D, SER223A, SER223D, SER229A, SER229D, SER292A, SER292D, THR201A, THR201D, THR224A, THR224D, THR266A, THR266D, TYR218A, TYR218D, TYR247A, TYR247D, TYR291A, TYR291D, VAL216A, VAL216D, VAL261A, VAL261D, VAL264A, VAL264D
• B-C: ALA59B, ALA59C, ALA97B, ALA97C, ARG80B, ARG80C, ASN57B, ASN57C, ASN66B, ASP56B, ASP56C, ASP61B, ASP61C, ASP86B, ASP86C, GLN74B, GLN74C, GLN82B, GLN82C, GLY58B, GLY58C, GLY84B, GLY84C, LEU63B, LEU64B, LEU64C, LYS62B, LYS62C, LYS68B, LYS68C, LYS87B, LYS87C, PRO76B, PRO76C, SER60B, SER60C, SER65B, SER65C, SER81B, SER81C, SER83B, SER83C, SER93B, SER93C, SER94B, SER94C, THR22B, THR22C, THR75B, THR75C, THR88B, THR88C, THR95B, THR95C, TRP85B, TRP85C, TYR31B, TYR31C, TYR92B, TYR92C, VAL23B, VAL23C, VAL77B, VAL77C, VAL96B, VAL96C
• C-D: ASN230C, ASN230D, ASN239C, ASN239D, ASN280C, ASN280D, ASP226C, ASP226D, ASP273C, ASP273D, ASP275C, ASP275D, GLN228C, GLN228D, GLY240C, GLY240D, GLY276C, GLY276D, HIS221C, HIS221D, ILE232C, ILE232D, LYS234C, LYS234D, LYS241C, LYS241D, LYS268C, LYS268D, PRO227C, PRO227D, PRO238C, PRO238D, PRO242C, PRO242D, PRO271C, PRO271D, SER229C, SER229D, SER231C, SER231D, TRP28C, TRP28D, TYR235C, TYR235D, TYR237C, TYR237D, TYR277C, TYR277D, TYR279C, TYR279D, TYR286C, TYR286D, VAL274C, VAL274D, VAL278C, VAL278D