2KAX

solution structure and dynamics of s100a5 in the apo and ca2+ -bound states

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 124
  • Norm. En. per Res.: -3.9251
• 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	-84.1401	-29.3336	-373.233	-486.7067	124	16	9	16650	2	34	17

Interface residues

• A-B: ALA82B, ALA8A, ALA8B, ASN84A, ASN84B, ASP68A, ASP68B, ASP85A, ASP85B, ASP90A, ASP90B, CYS43A, CYS43B, CYS80A, CYS80B, GLU23A, GLU23B, GLU2A, GLU2B, GLU41A, GLU41B, GLU46A, GLU46B, GLU6A, GLU6B, GLU71A, GLU71B, GLU89A, GLU89B, GLY21A, GLY21B, GLY24A, GLY24B, GLY45A, GLY45B, HIS17A, HIS17B, ILE38A, ILE38B, LEU27A, LEU27B, LEU34A, LEU37A, LEU37B, LEU42A, LEU42B, LEU44A, LEU44B, LEU5A, LEU5B, LEU76A, LEU76B, LEU79A, LEU79B, LEU88A, LEU88B, LEU9A, LEU9B, LYS18A, LYS26A, LYS26B, LYS39A, LYS39B, LYS40A, LYS40B, LYS48A, LYS70A, LYS70B, LYS7A, LYS7B, LYS92A, LYS92B, MET12A, MET12B, MET1A, MET1B, MET47A, MET47B, MET78A, MET78B, MET81A, MET81B, PHE16A, PHE16B, PHE69A, PHE69B, PHE75A, PHE75B, PHE86A, PHE86B, PHE87A, PHE87B, PRO4A, PRO4B, SER20A, SER20B, SER25A, SER25B, SER73A, SER73B, THR10A, THR10B, THR11A, THR11B, THR14A, THR14B, THR15A, THR15B, THR28A, THR28B, THR3A, THR3B, THR77A, THR77B, TYR19A, TYR19B, TYR72A, TYR72B, TYR83A, TYR83B, VAL13A, VAL13B, VAL74A, VAL74B