2Q51

ensemble refinement of the protein crystal structure of an aspartoacylase from homo sapiens

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -2.496
• 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	-33.7355	-40.1784	-273.033	-346.9469	139	38	13	13127	9	45	30

Interface residues

• A-B: ALA189A, ALA189B, ALA240A, ALA240B, ALA241A, ALA241B, ALA286A, ALA286B, ALA287A, ALA287B, ALA294A, ALA39A, ARG188A, ARG188B, ARG196A, ARG196B, ARG233A, ASN121A, ASN121B, ASN236A, ASN236B, ASN23A, ASN23B, ASN246A, ASN246B, ASN284A, ASN284B, ASN37A, ASN37B, ASP190A, ASP190B, ASP193A, ASP193B, ASP234A, ASP234B, ASP249A, ASP249B, ASP266A, ASP266B, CYS61A, CYS61B, GLN182A, GLN182B, GLN184A, GLN184B, GLN248A, GLN248B, GLN250B, GLU235A, GLU235B, GLU238A, GLU238B, GLU285A, GLU285B, GLU290A, GLU290B, GLU293A, GLU36A, GLU36B, GLU40A, GLU40B, GLY185A, GLY185B, GLY267A, GLY267B, HIS244A, HIS244B, HIS33A, HIS33B, ILE191A, ILE191B, ILE239A, ILE239B, ILE242A, ILE242B, ILE243A, ILE243B, ILE52B, LEU187A, LEU187B, LEU192A, LEU192B, LEU247A, LEU247B, LEU25A, LEU25B, LEU263A, LEU263B, LEU265A, LEU265B, LEU30A, LEU30B, LEU35B, LYS268A, LYS32A, LYS32B, LYS59A, LYS59B, LYS60A, LYS60B, PHE262A, PHE262B, PHE29A, PHE29B, PRO181A, PRO181B, PRO183A, PRO183B, PRO232B, PRO245A, PRO245B, SER120A, SER120B, THR118A, THR118B, THR119A, THR119B, THR264A, THR264B, THR26A, THR26B, TRP34A, TRP34B, TYR231A, TYR231B, TYR288A, TYR288B, TYR289A, TYR289B, VAL186A, VAL186B, VAL283A, VAL283B, VAL28A, VAL28B, VAL31A, VAL31B, VAL58A, VAL58B