3FII

crystal structure of clostridium botulinum neurotoxin serotype f catalytic domain with an inhibitor (inh2)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 124
  • Norm. En. per Res.: -5.6315
• 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	-124.4638	-116.7424	-457.098	-698.3042	124	28	9	16698	9	45	38

Interface residues

• A-B: ALA232A, ALA307A, ALA37B, ARG133A, ARG171A, ARG240A, ARG263A, ARG41A, ARG56B, ASN138A, ASN15A, ASN165A, ASN184A, ASN191A, ASN42A, ASN49B, ASN50A, ASP161A, ASP16A, ASP175A, ASP17A, ASP181A, ASP312A, ASP40B, ASP44B, ASP51B, ASP55A, ASP57B, ASP58A, GLN23A, GLN33B, GLN34B, GLN36B, GLN38B, GLU164A, GLU228A, GLU265A, GLU266A, GLU27A, GLU28A, GLU310A, GLU315A, GLU38A, GLU41B, GLU55B, GLY159A, GLY177A, GLY178A, GLY235A, GLY53A, HIS129A, HIS227A, HIS231A, HIS234A, ILE139A, ILE149A, ILE150A, ILE190A, ILE192A, ILE19A, ILE24A, ILE45B, ILE52A, LEU118A, LEU151A, LEU173A, LEU20A, LEU32B, LEU54B, LYS115A, LYS140A, LYS146A, LYS172A, LYS245A, LYS29A, LYS52B, MET174A, MET22A, MET40A, MET46B, PRO130A, PRO160A, PRO169A, PRO25A, PRO308A, PRO309A, SER136A, SER141A, SER147A, SER148A, SER166A, SER167A, SER176A, THR132A, THR134A, THR135A, THR18A, THR194A, THR243A, THR269A, THR35B, THR51A, THR54A, TRP44A, TYR168A, TYR180A, TYR244A, TYR26A, TYR311A, TYR316A, TYR33A, TYR368A, VAL131A, VAL137A, VAL145A, VAL170A, VAL179A, VAL39B, VAL42B, VAL43A, VAL43B, VAL48B, VAL50B, VAL53B