2JPT

structural changes induced in apo-s100a1 protein by the disulphide formation between its cys85 residue and b- mercaptoethanol

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -2.3676
• 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	0.0	25.0719	-299.709	-274.6372	116	18	19	15067	0	10	22

Interface residues

• A-B: ALA17A, ALA17B, ALA79A, ALA79B, ALA7A, ALA7B, ALA80A, ALA80B, ALA84A, ALA84B, ASN13A, ASN13B, ASN86A, ASN86B, ASN87A, ASN87B, ASN92A, ASN92B, ASP70A, ASP70B, CYS85A, CYS85B, GLN38A, GLN38B, GLN48A, GLN48B, GLN72A, GLN72B, GLU22A, GLU22B, GLU3A, GLU3B, GLU40A, GLU40B, GLU5A, GLU5B, GLU73A, GLU73B, GLU91A, GLU91B, GLU9A, GLU9B, GLY1A, GLY1B, GLY20A, GLY20B, GLY43A, GLY43B, HIS16A, HIS16B, HIS18A, HIS18B, ILE12A, ILE12B, LEU11A, LEU11B, LEU33A, LEU33B, LEU36A, LEU36B, LEU37A, LEU37B, LEU41A, LEU41B, LEU45A, LEU45B, LEU4A, LEU4B, LEU77A, LEU77B, LEU81A, LEU81B, LYS21A, LYS21B, MET8A, MET8B, PHE15A, PHE15B, PHE44A, PHE44B, PHE71A, PHE71B, PHE89A, PHE89B, SER19A, SER19B, SER2A, SER2B, SER42A, SER42B, THR10A, THR10B, THR39A, THR39B, THR6A, THR6B, THR82A, THR82B, TRP90A, TRP90B, TYR26A, TYR26B, TYR74A, TYR74B, VAL14A, VAL14B, VAL57A, VAL57B, VAL75A, VAL75B, VAL76A, VAL76B, VAL78A, VAL78B, VAL83A, VAL83B