2P0R

structure of human calpain 9 in complex with leupeptin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 34
  • Norm. En. per Res.: -2.5846
• Hub Node: A(3)

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	-39.0938	121.0032	-304.057	-222.1476	116	10	0	11794	0	35	37
A-D	-23.0995	0.0	-64.7783	-87.8778	34	2	3	2239	0	0	0
A-E	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	0
B-D	0.0	0.0	-0.0669	-0.0669	2	0	0	12	0	0	0
B-E	-14.2675	0.0	-60.5862	-74.8537	35	9	3	2415	0	0	0

Interface residues

• A-B: ALA163A, ALA163B, ALA239A, ALA239B, ALA240A, ALA240B, ALA244A, ALA244B, ARG154A, ARG154B, ARG156A, ARG156B, ARG245A, ARG245B, ARG60A, ARG60B, ASN278A, ASN278B, ASN52A, ASN52B, ASP155A, ASP155B, ASP164A, ASP164B, ASP313A, ASP313B, ASP96A, ASP96B, CYS90A, CYS90B, CYS97A, CYS97B, GLN282A, GLN282B, GLN62A, GLN62B, GLN91A, GLN91B, GLU185B, GLU241A, GLU241B, GLU243A, GLU243B, GLU59A, GLU59B, GLU93A, GLU93B, GLY189A, GLY189B, GLY253A, GLY281A, GLY281B, GLY92A, GLY92B, GLY95A, GLY95B, HIS161A, HIS161B, HIS165A, HIS165B, HIS254A, HIS254B, ILE251A, ILE251B, ILE63A, ILE63B, LEU100A, LEU157A, LEU157B, LEU160A, LEU160B, LEU187B, LEU55A, LEU94A, LEU94B, LYS188A, LYS188B, LYS252A, LYS252B, LYS68A, PHE153A, PHE153B, PHE159A, PHE159B, PHE56B, PHE65A, PHE65B, PRO279A, PRO279B, PRO61A, PRO61B, PRO64A, PRO64B, SER162A, SER162B, SER238A, SER238B, SER242A, SER242B, SER51A, SER58A, SER58B, THR152A, THR152B, THR236A, TRP280A, TRP280B, TRP67A, TRP98A, TYR57A, VAL158A, VAL158B, VAL283A, VAL283B, VAL66A, VAL66B
• A-D: ALA101A, ALA192A, ALA255A, ASP235A, ASP96A, CYS232A, CYS97A, GLN91A, GLU194A, GLU243A, GLU332A, GLY189A, GLY190A, GLY231A, GLY253A, GLY95A, HIS254A, ILE193A, ILE234A, ILE251A, LEU187A, LEU356D, LEU357D, LEU99A, LYS188A, LYS252A, LYS330A, MET196A, PHE233A, SER191A, SER242A, THR236A, TRP98A, TYR256A
• A-E: GLN62A, LEU357E
• B-D: GLN62B, LEU357D
• B-E: ALA101B, ALA186B, ALA192B, ALA239B, ALA255B, ASP235B, ASP96B, CYS232B, CYS97B, GLU194B, GLU243B, GLU332B, GLY189B, GLY190B, GLY231B, GLY253B, GLY95B, HIS254B, ILE193B, ILE234B, ILE251B, LEU187B, LEU356E, LEU357E, LEU99B, LYS188B, LYS252B, LYS330B, MET196B, PHE233B, SER191B, SER242B, THR236B, TRP98B, TYR256B