3K5F

human bace-1 complex with ayh011

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 54
  • Norm. En. per Res.: -0.7829
• 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	55.0519	-97.33	-42.2781	54	1	1	4180	0	20	16
A-C	-3.3534	78.8161	-108.452	-32.9893	50	4	1	4308	0	17	19

Interface residues

• A-B: ALA127B, ALA358A, ARG128B, ARG64B, ASN5A, ASP106B, ASP130B, ASP131B, ASP180A, ASP4A, CYS359A, GLN153A, GLU104B, GLU1A, GLU77B, GLU79B, GLY186A, GLY66B, GLY74B, GLY78B, HIS181A, HIS360A, HIS45B, HIS89A, ILE102B, ILE175A, ILE179A, LEU183A, LEU63B, LEU80B, LYS107B, LYS65B, LYS75B, MET2A, PHE108B, PHE47A, PRO129B, PRO70B, SER105B, SER132B, SER173A, SER182A, SER357A, SER46A, THR103B, THR185A, TRP76B, TYR184A, TYR68B, VAL361A, VAL3A, VAL48A, VAL67B, VAL69B
• A-C: ALA358C, ARG128A, ARG64A, ASN5C, ASP106A, ASP130A, ASP180C, ASP4C, CYS359C, GLU104A, GLU1C, GLU77A, GLU79A, GLY186C, GLY66A, GLY74A, GLY78A, HIS181C, HIS360C, HIS362C, HIS45A, HIS89C, ILE102A, ILE175C, LEU183C, LEU63A, LEU80A, LYS107A, LYS65A, LYS75A, MET2C, PHE108A, PHE47C, PRO129A, PRO70A, SER105A, SER173C, SER182C, SER187C, SER357C, SER46C, THR103A, THR185C, TRP76A, TYR184C, TYR68A, VAL3C, VAL48C, VAL67A, VAL69A