3KSE

unreduced cathepsin l in complex with stefin a

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 46
  • Norm. En. per Res.: -3.2886
• 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	-21.0409	17.967	-45.0948	-48.1686	27	4	0	1511	1	10	14
A-D	-46.7625	0.0	-255.006	-301.7685	92	10	3	9857	0	11	10
A-F	-15.9693	-14.381	-120.924	-151.2743	46	1	0	4457	2	15	15
B-C	-17.1608	-42.5597	-108.788	-168.5085	54	2	0	4102	4	52	43
B-E	-38.0311	0.0	-250.007	-288.0381	93	8	3	9831	0	11	10
B-F	0.0	-10.7717	-25.9824	-36.7541	29	1	0	1707	0	3	6
C-F	-36.0319	0.0	-243.305	-279.3369	94	10	3	9669	0	11	10

Interface residues

• A-C: ARG44A, ASN101A, ASP55C, ASP84A, CYS56C, CYS65C, CYS98C, GLU86A, GLU87A, GLU92C, GLU95C, GLU96C, GLY58C, ILE46A, LYS103A, LYS99C, PRO59C, PRO90A, SER47A, SER85A, SER88A, SER97C, THR94C, TYR104A, TYR89A, TYR89C, VAL106A
• A-D: ALA135A, ALA138A, ALA214A, ALA27A, ALA49D, ALA93A, ASN187A, ASN18A, ASN52D, ASN62A, ASN66A, ASN77D, ASP137A, ASP160A, ASP162A, ASP71A, ASP79D, CYS22A, CYS65A, GLN19A, GLN21A, GLN46D, GLN76D, GLU141A, GLU159A, GLU15D, GLU192A, GLU63A, GLU78D, GLU95A, GLY139A, GLY164A, GLY190A, GLY194A, GLY20A, GLY23A, GLY4D, GLY50D, GLY5D, GLY61A, GLY64A, GLY67A, GLY68A, GLY75D, GLY97D, HIS140A, HIS163A, ILE136A, ILE2D, LEU144A, LEU69A, LEU6D, LEU73D, LEU82D, LYS147A, LYS17A, LYS68D, LYS71D, MET161A, MET1D, MET70A, PHE143A, PHE145A, PHE70D, PHE98D, PRO3D, PRO74D, SER133A, SER142A, SER188A, SER24A, SER29A, SER72D, SER7D, THR45D, THR51D, THR83D, THR94A, THR96D, TRP189A, TRP193A, TRP26A, TYR146A, TYR53D, TYR54D, TYR72A, TYR91A, VAL134A, VAL165A, VAL47D, VAL48D, VAL81D
• A-F: ALA125A, ALA127A, ALA1A, ARG40A, ARG44A, ASN32F, ASP88F, GLN26F, GLN37A, GLN86F, GLU28F, GLU29F, GLU33F, GLU9A, GLY11A, GLY130A, GLY36A, GLY43A, GLY84F, HIS66F, ILE46A, LEU27F, LEU45A, LEU82F, LYS10A, LYS30F, LYS41A, LYS63F, LYS68F, MET38A, MET65F, PHE39A, PHE98F, THR128A, THR31F, THR42A, THR83F, TRP7A, TYR12A, TYR35F, TYR85F, VAL126A, VAL129A, VAL220A, VAL5A, VAL87F
• B-C: ALA121B, ALA202B, ALA202C, ARG205B, ARG205C, ARG206B, ARG206C, ARG3B, ASN180B, ASN207B, ASN207C, ASP137C, ASP155C, ASP160C, ASP162C, ASP178B, ASP179B, ASP179C, ASP204B, ASP204C, CYS156C, CYS209C, GLN118B, GLU119B, GLU141C, GLU153C, GLU159C, GLU173B, GLU176B, GLY139C, GLY171B, HIS140C, HIS208C, LYS120B, LYS181B, LYS203B, MET123B, MET161C, PHE143C, PHE152B, PHE152C, PHE172B, PRO154C, PRO2B, SER142C, SER157C, SER158C, SER174B, SER177B, SER4B, THR175B, TYR151C, TYR170B, TYR182B
• B-E: ALA135B, ALA138B, ALA214B, ALA27B, ALA49E, ALA93B, ASN187B, ASN18B, ASN52E, ASN62B, ASN66B, ASN77E, ASP137B, ASP160B, ASP162B, ASP71B, CYS22B, CYS65B, GLN19B, GLN21B, GLN46E, GLN76E, GLN86E, GLU141B, GLU159B, GLU192B, GLU63B, GLU78E, GLU95B, GLY139B, GLY164B, GLY190B, GLY194B, GLY20B, GLY23B, GLY4E, GLY50E, GLY5E, GLY61B, GLY64B, GLY67B, GLY68B, GLY75E, GLY84E, GLY97E, HIS140B, HIS163B, ILE136B, ILE2E, LEU144B, LEU69B, LEU6E, LEU73E, LEU82E, LYS147B, LYS17B, LYS68E, LYS71E, MET161B, MET1E, MET70B, PHE143B, PHE145B, PHE70E, PHE98E, PRO3E, PRO74E, SER133B, SER142B, SER188B, SER24B, SER29B, SER72E, SER7E, THR45E, THR51E, THR83E, THR94B, THR96E, TRP189B, TRP193B, TRP26B, TYR146B, TYR53E, TYR54E, TYR72B, TYR91B, VAL134B, VAL165B, VAL47E, VAL48E, VAL69E, VAL81E
• B-F: ALA121B, ALA125B, ALA127B, ALA12F, ALA1B, ALA9F, ARG40B, GLN118B, GLU15F, GLU8F, ILE16F, LEU6F, LYS10B, LYS10F, LYS120B, LYS124B, LYS44F, MET123B, MET1F, PRO116B, PRO11F, PRO14F, PRO2B, SER7F, THR128B, THR13F, TYR170B, TYR43F, VAL129B
• C-F: ALA135C, ALA138C, ALA214C, ALA27C, ALA49F, ALA93C, ASN187C, ASN18C, ASN52F, ASN62C, ASN66C, ASN77F, ASP137C, ASP160C, ASP162C, ASP71C, CYS22C, CYS65C, GLN19C, GLN21C, GLN46F, GLN76F, GLN86F, GLU141C, GLU159C, GLU15F, GLU192C, GLU63C, GLU78F, GLU95C, GLY139C, GLY164C, GLY190C, GLY194C, GLY20C, GLY23C, GLY4F, GLY50F, GLY5F, GLY61C, GLY64C, GLY67C, GLY68C, GLY75F, GLY84F, GLY97F, HIS140C, HIS163C, ILE136C, ILE2F, LEU144C, LEU69C, LEU6F, LEU73F, LEU82F, LYS147C, LYS17C, LYS68F, LYS71F, MET161C, MET1F, MET70C, PHE143C, PHE145C, PHE70F, PHE98F, PRO3F, PRO74F, SER133C, SER142C, SER188C, SER24C, SER29C, SER72F, SER7F, THR45F, THR51F, THR83F, THR94C, THR96F, TRP189C, TRP193C, TRP26C, TYR146C, TYR53F, TYR54F, TYR72C, TYR91C, VAL134C, VAL165C, VAL47F, VAL48F, VAL69F, VAL81F