1SRE

crystallographic and thermodynamic comparison of natural and synthetic ligands bound to streptavidin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -3.7274
• 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	-44.1431	-37.1284	-436.833	-518.1045	139	23	12	17172	2	13	13

Interface residues

• A-B: ALA117A, ALA119A, ALA119B, ALA35A, ALA35B, ALA38A, ALA38B, ALA63A, ALA63B, ALA65A, ALA65B, ALA72A, ALA72B, ALA78A, ALA78B, ALA86A, ALA86B, ALA89A, ALA89B, ARG59A, ARG59B, ASN105A, ASN105B, ASN118A, ASN118B, ASN81A, ASN81B, ASN85A, ASN85B, ASP36A, ASP36B, ASP61A, ASP61B, ASP67B, GLN107A, GLN107B, GLN95A, GLN95B, GLU116A, GLU116B, GLY113A, GLY113B, GLY126A, GLY126B, GLY37A, GLY37B, GLY41A, GLY41B, GLY58A, GLY58B, GLY68B, GLY70A, GLY70B, GLY74A, GLY74B, GLY94A, GLY94B, GLY98A, GLY98B, HIS127A, HIS127B, HIS87A, HIS87B, LEU109A, LEU109B, LEU110A, LEU110B, LEU124A, LEU124B, LEU39A, LEU39B, LEU56A, LEU56B, LEU73A, LEU73B, LYS121B, LYS80A, LYS80B, PRO64A, PRO64B, SER112A, SER112B, SER122A, SER122B, SER62A, SER62B, SER69A, SER69B, SER88A, SER88B, SER93A, SER93B, THR106A, THR106B, THR111A, THR111B, THR114A, THR114B, THR115A, THR115B, THR123A, THR123B, THR40A, THR40B, THR57A, THR57B, THR66B, THR71A, THR71B, THR76A, THR76B, THR90A, THR90B, THR91A, THR91B, TRP108A, TRP108B, TRP120A, TRP120B, TRP75A, TRP75B, TRP79A, TRP79B, TRP92A, TRP92B, TYR54A, TYR54B, TYR60A, TYR60B, TYR96A, TYR96B, VAL125A, VAL125B, VAL55A, VAL55B, VAL77A, VAL77B, VAL97A, VAL97B