3K9M

cathepsin b in complex with stefin a

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 120
  • Norm. En. per Res.: -3.5269
• 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-C	-47.6943	-52.8786	-259.709	-360.282	117	28	2	13277	3	13	11
A-B	0.0	0.0	-0.307	-0.307	7	0	0	95	0	1	1
A-D	-2.9362	-23.5848	-59.2844	-85.8054	42	12	0	2791	3	18	21
C-B	-9.2312	11.5304	-114.926	-112.6268	61	2	1	4926	0	16	14
C-D	0.0	0.0	-1.2389	-1.2389	6	0	0	138	0	0	1
B-D	-46.4768	-39.2385	-337.513	-423.2283	120	30	2	13520	2	14	11

Interface residues

• A-C: ALA173A, ALA200A, ALA31A, ALA49C, ALA77A, ARG116A, ARG21A, ASN219A, ASN222A, ASN52C, ASN72A, ASN77C, ASP124A, ASP179A, ASP224A, ASP22A, ASP69A, ASP79C, CYS108A, CYS119A, CYS240A, CYS26A, CYS29A, CYS67A, CYS71A, GLN23A, GLN26C, GLN46C, GLN76C, GLU109A, GLU122A, GLU15C, GLU171A, GLU194A, GLU245A, GLU78A, GLU78C, GLU8C, GLY121A, GLY123A, GLY172A, GLY197A, GLY198A, GLY226A, GLY241A, GLY24A, GLY27A, GLY4C, GLY50C, GLY5C, GLY68A, GLY70A, GLY73A, GLY74A, GLY75C, GLY84C, GLY97C, HIS110A, HIS111A, HIS199A, ILE16C, ILE201A, ILE2C, LEU181A, LEU182A, LEU6C, LEU73C, LEU80C, LEU82C, LYS10C, LYS184A, LYS44C, LYS68C, LYS71C, MET195A, MET196A, MET1C, PHE174A, PHE180A, PHE70C, PHE98C, PRO106A, PRO107A, PRO117A, PRO118A, PRO3C, PRO74C, PRO76A, SER175A, SER178A, SER220A, SER244A, SER25A, SER28A, SER72C, SER7C, THR120A, THR13C, THR45C, THR51C, THR83C, THR96C, TRP221A, TRP225A, TRP30A, TYR177A, TYR183A, TYR43C, TYR53C, TYR54C, TYR75A, VAL112A, VAL176A, VAL47C, VAL48C, VAL69C, VAL81C
• A-B: ARG116B, GLU194A, GLY193A, LEU182B, MET195A, THR192A, VAL191A
• A-D: ASN155A, ASN77D, ASP179A, ASP21D, ASP238A, ASP79D, CYS240A, GLN17D, GLN189A, GLN237A, GLN76D, GLU15D, GLU18D, GLU194A, GLU243A, GLU78D, GLY193A, GLY236A, GLY241A, GLY75D, HIS190A, HIS239A, ILE19D, ILE242A, LEU234A, LEU73D, LEU80D, LYS22D, LYS24D, LYS37D, LYS71D, MET195A, PRO14D, PRO25D, PRO74D, SER175A, SER178A, SER244A, SER72D, THR192A, TYR177A, VAL191A
• C-B: ALA12C, ALA40C, ALA59C, ALA9C, ARG58C, ASN210B, ASN62C, ASP179B, ASP61C, ASP92C, ASP93C, GLN17C, GLN189B, GLN237B, GLN42C, GLU15C, GLU194B, GLU209B, GLU39C, GLU8C, GLU94C, GLY186B, GLY193B, GLY211B, GLY226B, GLY60C, HIS190B, HIS239B, ILE16C, LEU181B, LEU182B, LEU234B, LEU38C, LEU95C, LYS10C, LYS184B, LYS37C, LYS44C, LYS56C, LYS63C, LYS91C, PHE180B, PRO11C, PRO14C, PRO213B, SER178B, SER185B, SER7C, THR13C, THR192B, THR212B, TRP225B, TYR183B, TYR188B, TYR43C, TYR64C, VAL187B, VAL191B, VAL208B, VAL41C, VAL57C
• C-D: GLU15D, GLY75D, MET1C, PRO14D, THR13C, THR13D
• B-D: ALA173B, ALA200B, ALA31B, ALA49D, ALA77B, ARG116B, ARG21B, ASN219B, ASN222B, ASN52D, ASN72B, ASN77D, ASP124B, ASP179B, ASP224B, ASP22B, ASP69B, ASP79D, CYS108B, CYS119B, CYS240B, CYS26B, CYS29B, CYS71B, GLN23B, GLN26D, GLN46D, GLN76D, GLU109B, GLU122B, GLU15D, GLU171B, GLU194B, GLU245B, GLU78D, GLU8D, GLY121B, GLY123B, GLY172B, GLY197B, GLY198B, GLY226B, GLY241B, GLY24B, GLY27B, GLY4D, GLY50D, GLY5D, GLY68B, GLY70B, GLY73B, GLY74B, GLY75D, GLY84D, GLY97D, HIS110B, HIS111B, HIS199B, ILE105B, ILE16D, ILE201B, ILE2D, LEU181B, LEU182B, LEU6D, LEU73D, LEU80D, LEU82D, LYS10D, LYS184B, LYS30D, LYS44D, LYS68D, LYS71D, MET195B, MET196B, MET1D, PHE174B, PHE180B, PHE70D, PHE98D, PRO106B, PRO107B, PRO117B, PRO118B, PRO3D, PRO74D, PRO76B, SER115B, SER175B, SER178B, SER220B, SER25B, SER28B, SER72D, SER7D, THR120B, THR125B, THR13D, THR45D, THR51D, THR83D, THR96D, TRP221B, TRP225B, TRP30B, TYR103B, TYR177B, TYR183B, TYR43D, TYR53D, TYR54D, TYR75B, TYR85D, VAL112B, VAL176B, VAL47D, VAL48D, VAL69D, VAL81D