3TKZ

structure of the shp-2 n-sh2 domain in a 1:2 complex with rvipyfvplnr peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: P-Q
  • Int. Res.: 9
  • Norm. En. per Res.: -10.2501
• 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-P	-17.8632	0.0	-61.2634	-79.1266	39	5	2	2714	0	0	0
A-Q	-25.8368	0.0	-78.6504	-104.4872	35	3	5	3262	0	0	0
P-Q	-23.4698	0.0	-68.7815	-92.2513	9	4	5	2095	0	0	0

Interface residues

• A-P: ALA16A, ALA50A, ARG32A, ARG47A, ASN92A, ASP64A, ASP94A, GLN57A, GLU15A, GLU17A, GLU90A, GLY13A, GLY67A, GLY68A, HIS53A, ILE3P, ILE54A, ILE96A, LEU43A, LEU65A, LEU88A, LEU8P, LYS35A, LYS55A, LYS89A, LYS91A, PHE5P, PRO7P, SER36A, SER44A, THR12A, THR42A, THR52A, TYR66A, VAL14A, VAL2P, VAL45A, VAL51A, VAL6P
• A-Q: ARG47A, ASN92A, ASP64A, ASP94A, GLN87A, GLU69A, GLU90A, GLY67A, GLY68A, GLY86A, GLY93A, HIS53A, HIS84A, HIS85A, ILE3Q, ILE54A, ILE56A, ILE96A, LEU43A, LEU65A, LEU77A, LEU88A, LYS55A, LYS89A, LYS91A, PHE5Q, PHE71A, PRO7Q, THR52A, TYR66A, TYR80A, TYR81A, VAL2Q, VAL6Q, VAL95A
• P-Q: ILE3P, ILE3Q, LEU8P, PHE5P, PHE5Q, PRO7P, PRO7Q, VAL6P, VAL6Q