2OUL

the structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of a new inhibitor family

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -3.3247
• 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	-41.3938	5.1126	-296.192	-332.4732	100	5	6	11161	3	17	12

Interface residues

• A-B: ALA134A, ALA140A, ALA158A, ALA27A, ALA35B, ALA67B, ARG91B, ASN156A, ASN187A, ASN21A, ASN29B, ASN55B, ASN60A, ASN64A, ASN69A, ASN70A, ASP137A, ASP138A, ASP153A, ASP18A, ASP217A, ASP61B, ASP92A, ASP99B, CYS22A, CYS25A, CYS63A, GLN154A, GLN191A, GLN192A, GLN19A, GLU101B, GLU71B, GLY152A, GLY190A, GLY194A, GLY197A, GLY23A, GLY33B, GLY40B, GLY41B, GLY62A, GLY65A, GLY66A, GLY66B, GLY68B, GLY69B, HIS157A, ILE131A, ILE68A, LEU155A, LEU64B, LEU65B, LEU67A, LYS143A, LYS17A, LYS20A, LYS43B, LYS56B, LYS59A, LYS63B, LYS7B, MET90B, PHE139A, PHE141A, PHE219A, PHE34B, PHE58B, PRO30B, PRO59B, PRO60B, PRO92B, SER100B, SER130A, SER132A, SER136A, SER188A, SER24A, SER28B, SER29A, SER62B, SER91A, THR216A, THR31B, THR32B, THR42B, THR94B, TRP189A, TRP193A, TRP26A, TRP93B, TYR142A, TYR37B, TYR57B, TYR61A, TYR89A, TYR89B, VAL133A, VAL135A, VAL159A