2Q05

crystal structure of tyr/ser protein phosphatase from vaccinia virus wr

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 85
  • Norm. En. per Res.: -4.103
• 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	-58.7755	-41.0375	-260.528	-360.341	90	19	13	12249	2	28	36
A-C	-18.8133	-3.9719	-64.2867	-87.0719	34	2	0	2807	0	12	26
A-D	-7.6895	2.9628	-53.2028	-57.9295	62	2	1	2899	0	18	28
B-C	0.0	0.0	-0.282	-0.282	4	0	0	52	0	0	1
B-D	-24.5974	-2.7051	-63.4423	-90.7449	36	2	0	2798	0	13	27
C-D	-62.0904	-38.291	-248.372	-348.7534	85	16	13	11846	2	28	36

Interface residues

• A-B: ARG13A, ARG13B, ARG146A, ARG146B, ARG160A, ARG160B, ASN155A, ASN155B, ASP169A, ASP169B, ASP17A, ASP17B, ASP2A, ASP2B, GLN161A, GLN161B, GLU154A, GLU154B, GLU164A, GLU164B, GLY16A, GLY16B, HIS143A, HIS143B, ILE162A, ILE162B, ILE163A, ILE163B, ILE168A, ILE168B, LEU10A, LEU10B, LEU11A, LEU11B, LEU122A, LEU122B, LEU12A, LEU12B, LEU133A, LEU133B, LEU136A, LEU136B, LEU139A, LEU139B, LEU6A, LEU6B, LYS159A, LYS159B, LYS165B, LYS170B, LYS3A, LYS3B, LYS4A, LYS4B, LYS8A, LYS8B, PHE138A, PHE138B, PHE152A, PHE152B, PHE158A, PHE158B, PRO134A, PRO134B, PRO156A, PRO156B, SER132B, SER14A, SER14B, SER157A, SER157B, SER5A, SER5B, THR15A, THR15B, TYR137A, TYR137B, TYR140A, TYR140B, TYR142A, TYR142B, TYR166B, TYR7A, TYR7B, TYR9A, TYR9B, VAL153A, VAL153B, VAL167A, VAL167B
• A-C: ALA151A, ALA21A, ALA21C, ARG13C, ARG146A, ARG146C, ARG149A, ARG20A, ARG20C, ASN38A, ASP147A, ASP147C, ASP17C, GLU154C, GLY150A, GLY150C, GLY16C, HIS-12A, HIS143C, HIS19A, HIS19C, ILE26A, LEU12C, LEU148A, LYS159C, LYS22A, LYS22C, PRO156C, PRO24A, SER14C, SER23A, THR15C, THR25A, TYR142C
• A-D: ALA111A, ALA111D, ALA112A, ALA112D, ALA21A, ALA21D, ARG116A, ARG116D, ARG13A, ARG13D, ARG146A, ARG146D, ARG20A, ARG20D, ASN115A, ASN115D, ASN155A, ASN155D, ASP17A, ASP17D, ASP61A, ASP61D, ASP79A, ASP79D, ASP80A, ASP80D, CYS110A, GLU154A, GLU154D, GLY16A, GLY16D, HIS143A, HIS143D, HIS19A, HIS19D, LEU12A, LEU12D, LEU77A, LEU77D, LYS159D, LYS22A, LYS22D, PRO156A, PRO156D, SER14A, SER14D, SER23A, SER23D, THR15A, THR15D, THR59A, THR59D, THR81A, THR81D, THR82A, THR82D, THR83A, THR83D, TYR142A, TYR142D, VAL78A, VAL78D
• B-C: THR81B, THR81C, THR82B, THR82C
• B-D: ALA112D, ALA151D, ALA21B, ALA21D, ARG13B, ARG13D, ARG146B, ARG146D, ARG149D, ARG20B, ARG20D, ASN38D, ASN41D, ASP147B, ASP147D, ASP17B, GLU154B, GLY150B, GLY150D, GLY16B, HIS143B, HIS19B, HIS19D, ILE26D, LEU148D, LYS159B, LYS22B, LYS22D, PRO24D, SER-10D, SER14B, SER23D, THR15B, THR25D, THR28D, TYR142B
• C-D: ARG13C, ARG13D, ARG146C, ARG146D, ARG160C, ARG160D, ASN155C, ASN155D, ASP169C, ASP169D, ASP17C, ASP17D, ASP2D, GLN161C, GLN161D, GLU154C, GLU154D, GLU164C, GLU164D, GLY16C, GLY16D, HIS143C, HIS143D, ILE162C, ILE162D, ILE163C, ILE163D, ILE168C, ILE168D, LEU10C, LEU10D, LEU11C, LEU11D, LEU122C, LEU122D, LEU12C, LEU12D, LEU133C, LEU133D, LEU136C, LEU136D, LEU139C, LEU139D, LEU6C, LEU6D, LYS159C, LYS159D, LYS3C, LYS3D, LYS4C, LYS4D, LYS8C, LYS8D, PHE138C, PHE138D, PHE152C, PHE152D, PHE158C, PHE158D, PRO134C, PRO134D, PRO156C, PRO156D, SER14C, SER14D, SER157C, SER157D, SER5C, SER5D, THR15C, THR15D, TYR137C, TYR137D, TYR140C, TYR140D, TYR142C, TYR142D, TYR7C, TYR7D, TYR9C, TYR9D, VAL153C, VAL153D, VAL167C, VAL167D