3AJ6

ha1 (ha33) mutant f179i of botulinum type c progenitor toxin complexed with n-acetylgalactosamine, bound at site ii

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -2.7322
• 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	-25.867	0.0	-291.067	-316.934	116	6	7	11596	0	8	13

Interface residues

• A-B: ALA58A, ALA58B, ARG102A, ARG102B, ARG107A, ARG107B, ARG10A, ARG10B, ASN103A, ASN103B, ASN108A, ASN108B, ASN111A, ASN111B, ASN113A, ASN113B, ASN11A, ASN11B, ASN12A, ASN12B, ASN191A, ASN191B, ASN21B, ASN55A, ASN55B, ASN5A, ASN5B, ASN7A, ASN98A, ASN98B, ASP53A, ASP53B, ASP8A, ASP8B, GLN129A, GLN129B, GLN135A, GLN135B, GLN3B, GLN57A, GLN57B, GLN97A, GLN97B, GLU13A, GLU13B, GLU192A, GLU192B, ILE100A, ILE100B, ILE105A, ILE105B, ILE106A, ILE106B, ILE51A, ILE51B, LEU114A, LEU114B, LEU50A, LEU50B, LEU95A, LEU95B, LEU96A, LEU96B, LEU9A, LEU9B, LYS138A, LYS138B, LYS194A, LYS194B, LYS56A, LYS56B, MET110A, MET110B, PHE136A, PHE136B, PHE15A, PRO112A, PRO112B, SER101A, SER101B, SER131A, SER131B, SER132A, SER132B, SER133A, SER133B, SER195A, SER195B, SER20A, SER20B, THR128A, THR128B, THR130A, THR130B, THR193A, THR193B, THR54A, THR54B, TRP93A, TRP93B, TYR109A, TYR109B, TYR190A, TYR190B, TYR52A, TYR52B, TYR59A, TYR59B, TYR94A, TYR94B, TYR99A, TYR99B, VAL104A, VAL104B, VAL115A, VAL115B