2Q91

structure of the ca2+-bound activated form of the s100a4 metastasis factor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 112
  • Norm. En. per Res.: -4.0068
• Hub Node: A(1)

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	-55.3951	-22.6445	-370.726	-448.7656	112	7	17	14678	2	31	20

Interface residues

• A-B: ALA2A, ALA2B, ALA83A, ALA83B, ALA8A, ALA8B, ARG40A, ARG40B, ASN87A, ASN87B, ASP10A, ASP10B, ASP71A, ASP71B, ASP95A, ASP95B, CYS3A, CYS3B, CYS76A, CYS76B, CYS81A, CYS81B, CYS86A, CYS86B, GLN73A, GLN73B, GLU41A, GLU41B, GLU6A, GLU6B, GLU74A, GLU74B, GLU88A, GLU88B, GLU91A, GLU91B, GLY21A, GLY47A, GLY47B, HIS17A, HIS17B, ILE82A, ILE82B, LEU37A, LEU37B, LEU38A, LEU38B, LEU42A, LEU42B, LEU46A, LEU46B, LEU5A, LEU5B, LEU79A, LEU79B, LEU9A, LEU9B, LYS18A, LYS18B, LYS26A, LYS26B, LYS7A, LYS7B, LYS96A, LYS96B, MET12A, MET12B, MET84A, MET84B, MET85A, MET85B, PHE16A, PHE16B, PHE27A, PHE27B, PHE45A, PHE45B, PHE72A, PHE72B, PHE78A, PHE78B, PHE89A, PHE89B, PHE90A, PHE90B, PHE93B, PRO43A, PRO43B, PRO4A, PRO4B, SER14A, SER14B, SER20A, SER20B, SER44A, SER44B, SER80A, SER80B, THR15A, THR15B, THR39A, THR39B, TYR19A, TYR19B, TYR75A, TYR75B, VAL11A, VAL11B, VAL13A, VAL13B, VAL77A, VAL77B