3V05

2.4 angstrom crystal structure of superantigen-like protein from staphylococcus aureus.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 109
  • Norm. En. per Res.: -3.3588
• 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	-104.1723	-19.8258	-242.108	-366.1061	109	18	3	11727	6	52	66
A-C	0.0	0.0	-3.9907	-3.9907	8	0	0	273	0	2	2
B-C	-6.6344	11.3037	-104.896	-100.2267	89	6	0	5347	3	74	67
B-D	0.0	2.0154	-2.9448	-0.9294	9	0	0	380	0	4	5
C-D	-76.4505	10.539	-180.273	-246.1845	101	14	3	8916	4	45	54

Interface residues

• A-B: ARG113A, ARG113B, ARG211A, ARG211B, ARG62A, ARG62B, ASN111A, ASN111B, ASN39A, ASN39B, ASP67A, ASP67B, GLN208A, GLN208B, GLN63A, GLN63B, GLN93A, GLN93B, GLU106A, GLU106B, GLU107A, GLU107B, GLU108A, GLU108B, GLU89A, GLU89B, GLY112A, GLY112B, GLY69A, GLY69B, GLY82A, GLY82B, GLY85A, GLY85B, HIS210A, HIS210B, HIS38A, HIS38B, ILE105A, ILE105B, ILE117A, ILE117B, ILE88A, ILE88B, LEU207A, LEU207B, LEU43A, LEU43B, LEU83A, LEU83B, LEU84A, LEU84B, LYS162A, LYS162B, LYS205A, LYS205B, LYS206A, LYS206B, LYS41A, LYS41B, LYS44A, LYS44B, LYS49A, LYS49B, LYS64A, LYS64B, LYS68A, LYS68B, LYS86A, LYS86B, MET212A, MET212B, PHE80A, PHE80B, PRO209A, PRO209B, PRO92A, PRO92B, SER116A, SER116B, SER42A, SER42B, SER48B, THR109A, THR109B, THR66A, THR66B, TYR115A, TYR115B, TYR40A, TYR40B, TYR45A, TYR45B, TYR46A, TYR46B, TYR47A, TYR47B, TYR71A, TYR71B, VAL104A, VAL104B, VAL110A, VAL110B, VAL65A, VAL65B, VAL70A, VAL70B, VAL81A, VAL81B
• A-C: ARG76C, ASP67A, ASP75C, GLN93A, LYS64A, LYS77C, THR66A, VAL65A
• B-C: ARG76B, ARG76C, ASN124B, ASN56B, ASN56C, ASP58B, ASP58C, ASP75B, ASP75C, GLN114B, GLN114C, GLU106B, GLU106C, GLU107B, GLU107C, GLU127B, GLU127C, GLU131B, GLU131C, GLU174B, GLU174C, GLU175B, GLU175C, GLU176C, GLU53B, GLU53C, GLY180B, ILE105B, ILE105C, ILE52B, ILE52C, LEU103B, LEU103C, LEU54B, LEU54C, LYS126B, LYS148B, LYS148C, LYS151B, LYS151C, LYS153B, LYS153C, LYS156B, LYS170B, LYS170C, LYS171B, LYS171C, LYS177B, LYS177C, LYS41B, LYS41C, LYS44B, LYS44C, LYS49B, LYS49C, LYS55B, LYS55C, LYS74B, LYS74C, LYS77B, LYS77C, MET173B, MET173C, PHE128B, PHE166B, PRO50B, PRO50C, SER129B, SER150B, SER150C, SER42B, SER48B, SER48C, SER51B, SER51C, THR155B, THR155C, TRP73B, TYR179B, TYR40B, TYR45B, TYR45C, TYR46B, TYR46C, TYR47B, TYR47C, TYR79B, TYR79C, VAL104B
• B-D: ARG76B, ASP67D, ASP75B, GLN63D, GLN93D, LYS64D, LYS77B, THR66D, VAL65D
• C-D: ARG113C, ARG113D, ARG211C, ARG62C, ARG62D, ASN111C, ASN111D, ASN39C, ASN39D, ASP67C, ASP67D, GLN208C, GLN208D, GLN63C, GLN63D, GLN93C, GLN93D, GLU106C, GLU106D, GLU107C, GLU107D, GLU108C, GLU108D, GLU89C, GLU89D, GLY112C, GLY112D, GLY69C, GLY69D, GLY82C, GLY82D, GLY85C, GLY85D, HIS210C, HIS210D, HIS38C, HIS38D, ILE105C, ILE117C, ILE117D, ILE88C, ILE88D, LEU207C, LEU207D, LEU43C, LEU83C, LEU83D, LEU84C, LEU84D, LYS162C, LYS162D, LYS205C, LYS205D, LYS206C, LYS206D, LYS41C, LYS44C, LYS49C, LYS49D, LYS64C, LYS64D, LYS68C, LYS68D, LYS86C, LYS86D, MET212C, MET212D, PHE80C, PHE80D, PRO209C, PRO209D, PRO92C, PRO92D, SER116C, SER116D, SER42C, SER42D, SER48C, THR109C, THR109D, THR66C, THR66D, TYR115C, TYR115D, TYR40C, TYR45C, TYR45D, TYR46C, TYR46D, TYR47C, TYR47D, TYR71C, TYR71D, VAL104C, VAL104D, VAL110C, VAL110D, VAL65C, VAL65D, VAL70D, VAL81D