3N4L

bace-1 in complex with eln380842

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 46
  • Norm. En. per Res.: -1.5869
• Hub Node: A(2)

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	18.2264	-91.2233	-72.9969	46	1	1	4499	0	8	8
A-C	-2.8091	21.4583	-154.235	-135.5858	99	5	6	8030	4	27	20
B-C	-10.4156	10.5231	-54.9841	-54.8767	38	6	3	2901	0	10	15

Interface residues

• A-B: ARG355A, ARG355B, ARG357A, ARG357B, ASN299A, ASN299B, GLN300A, GLN300B, GLU296A, GLU296B, GLU377B, GLY192A, GLY192B, GLY295A, GLY295B, GLY378A, GLY378B, LEU194A, LEU194B, LEU383A, LYS356A, MET385A, MET385B, PHE302A, PHE302B, PHE380A, PHE380B, PRO198B, PRO379A, PRO379B, SER193A, SER193B, SER301A, SER301B, THR298A, THR298B, THR382A, THR382B, TRP195A, TRP195B, TYR196A, TYR196B, VAL297A, VAL297B, VAL381A, VAL381B
• A-C: ALA256A, ALA256C, ALA257A, ALA257C, ALA374C, ALA375A, ALA375C, ARG211A, ARG211C, ARG303A, ARG303C, ARG372A, ARG372C, ASN215A, ASN215C, ASN284A, ASN284C, ASN299A, ASN299C, ASP218A, ASP218C, ASP369A, ASP369C, GLN217A, GLN217C, GLN300A, GLN300C, GLU213A, GLU213C, GLU261A, GLU261C, GLU370A, GLU370C, GLU377A, GLU377C, GLY216A, GLY216C, GLY378A, GLY378C, HIS368C, ILE214A, ILE214C, ILE254A, ILE285A, ILE285C, LEU219A, LEU307A, LEU307C, LEU383A, LEU383C, LYS220A, LYS220C, LYS252A, LYS252C, LYS255A, LYS255C, PHE286A, PHE286C, PHE371A, PHE371C, PHE380A, PHE380C, PRO282A, PRO282C, PRO287A, PRO287C, PRO379A, PRO379C, SER253A, SER253C, SER258A, SER258C, SER259A, SER259C, SER290A, SER290C, SER301A, SER301C, THR260A, THR260C, THR280A, THR280C, THR281C, THR298C, THR305A, THR305C, THR373A, THR373C, THR382A, THR382C, TRP195C, TRP283A, TRP283C, TYR292A, TYR292C, VAL288A, VAL288C, VAL381A, VAL381C
• B-C: ARG211B, ARG211C, ARG303B, ASN299B, ASN299C, ASN391C, ASP218B, ASP384C, ASP387C, CYS388C, GLN217B, GLN300B, GLN300C, GLU213B, GLU296C, GLU377B, GLU386C, GLY216B, GLY378B, LEU383B, LEU383C, LYS220B, LYS356C, MET385C, PHE302B, PHE380B, PHE380C, PRO379B, PRO379C, SER301B, THR298C, THR382B, THR382C, TRP195B, TYR292B, VAL297C, VAL381B, VAL381C