3SKA

i. novel hcv ns5b polymerase inhibitors: discovery of indole 2- carboxylic acids with c3-heterocycles

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -2.3932
• 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	-27.0264	30.1694	-249.64	-246.497	103	9	1	10714	0	52	80

Interface residues

• A-B: ALA246A, ALA246B, ALA249A, ALA249B, ALA252A, ALA252B, ALA73A, ALA73B, ALA75A, ALA75B, ALA80A, ALA80B, ARG234A, ARG234B, ARG250A, ARG250B, ARG254A, ARG254B, ARG65A, ARG65B, ASP125A, ASP129A, ASP129B, ASP244A, ASP244B, ASP66A, ASP66B, CYS242A, CYS242B, CYS243A, CYS243B, GLN241A, GLN241B, GLN251A, GLN251B, GLU124A, GLU124B, GLU128A, GLU128B, GLU131A, GLU131B, GLU230A, GLU230B, GLU236A, GLU237A, GLU237B, GLU248A, GLU248B, GLU258A, GLU258B, GLU70A, GLU70B, ILE239A, ILE239B, ILE253A, ILE253B, ILE262A, ILE262B, LEU126A, LEU126B, LEU127A, LEU127B, LEU245A, LEU245B, LEU60A, LEU60B, LEU68A, LEU68B, LYS69A, LYS69B, LYS72A, LYS72B, LYS74A, LYS74B, LYS79A, LYS79B, MET71A, MET71B, PRO247A, PRO247B, SER231A, SER231B, SER238A, SER238B, SER255A, SER255B, SER76A, SER76B, THR130A, THR130B, THR132B, THR257A, THR257B, THR77A, THR77B, TYR240A, TYR240B, TYR64A, TYR64B, VAL235A, VAL235B, VAL78A, VAL78B