3PA8

structure of the c. difficile tcdb cysteine protease domain in complex with a peptide inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 63
  • Norm. En. per Res.: -1.7907
• 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-B	-13.6376	-35.3408	-63.8387	-112.8171	63	4	1	3487	4	39	42

Interface residues

• A-B: ARG100A, ARG100B, ARG208A, ARG208B, ARG28A, ARG32A, ARG32B, ASN220A, ASN220B, ASN250B, ASP61A, ASP99A, ASP99B, GLU222A, GLU222B, GLU223A, GLU223B, GLU31A, GLU31B, GLY33A, GLY33B, ILE193A, ILE193B, ILE219A, ILE219B, ILE225A, ILE225B, ILE226A, ILE226B, ILE96A, ILE96B, ILE97A, ILE97B, LYS102A, LYS102B, LYS146A, LYS146B, LYS221A, LYS221B, LYS227A, LYS227B, LYS247A, LYS247B, LYS249A, LYS249B, PRO101A, PRO101B, PRO80A, PRO80B, SER147A, SER147B, SER224A, SER224B, SER29A, SER29B, SER30A, SER30B, TYR234A, TYR234B, TYR34A, TYR34B, TYR60A, TYR60B