3HVG

structure of bace (beta secretase) in complex with ev0

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 68
  • Norm. En. per Res.: -2.0334
• 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-C	-28.0317	26.1651	-63.8039	-65.6705	74	8	0	3521	1	37	38
B-C	-17.8054	23.4299	-143.894	-138.2695	68	7	1	6035	0	20	15

Interface residues

• A-C: ALA127A, ARG128A, ARG128C, ARG194A, ARG194C, ARG195A, ARG195C, ARG235C, ARG64C, ASN385A, ASN385C, ASP130A, ASP130C, ASP131A, ASP216A, ASP223A, ASP223C, ASP381A, CYS217A, CYS382A, GLN326A, GLN326C, GLN73C, GLU104C, GLU125A, GLU219A, GLU219C, GLU242A, GLU242C, GLU77A, GLU77C, GLY330C, GLY383A, GLY66A, GLY66C, ILE126A, LYS218A, LYS218C, LYS224C, LYS238A, LYS238C, LYS239A, LYS239C, LYS65A, LYS65C, LYS75A, LYS75C, MET215A, PRO129A, PRO129C, PRO237A, PRO70A, PRO70C, SER132A, SER132C, SER327C, SER328A, SER328C, THR329C, THR72C, TRP197A, TRP197C, TYR198C, TYR222A, TYR222C, TYR384A, TYR384C, TYR68A, TYR68C, TYR71C, VAL240A, VAL67A, VAL67C, VAL69A
• B-C: ALA355C, ALA358C, ALA97B, ARG61B, ARG64B, ARG7C, ARG96B, ASN5C, ASN92C, ASN98B, ASP130B, ASP138B, ASP180C, ASP4C, ASP62B, ASP83B, CYS155C, CYS359C, GLN143B, GLN153C, GLU134B, GLU1C, GLY-3C, GLY172C, GLY186C, GLY66B, GLY81B, GLY90C, HIS181C, HIS89C, ILE175C, ILE179C, ILE99B, LEU133B, LEU140B, LEU183C, LEU188C, LEU63B, LEU80B, LEU84B, LYS142B, LYS65B, MET2C, PHE-1C, PHE136B, PRO129B, PRO135B, PRO88C, PRO91C, SER-2C, SER132B, SER139B, SER173C, SER182C, SER187C, THR-4C, THR144B, THR185C, THR82B, TYR184C, TYR342C, TYR60B, VAL0C, VAL141B, VAL356C, VAL3C, VAL93C, VAL95B