3FCL

complex of ung2 and a fragment-based designed inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 67
  • Norm. En. per Res.: -1.6595
• 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	-7.624	14.6022	-118.164	-111.1859	67	1	3	5185	0	16	19

Interface residues

• A-B: ALA110B, ALA211A, ALA214A, ALA267A, ARG113B, ARG276A, ASN172A, ASN215A, GLN124B, GLN144A, GLN213A, GLU111B, GLU171A, GLU83B, GLU87B, GLU96B, GLY107B, GLY277A, GLY280A, GLY86B, GLY95B, GLY98B, HIS123B, HIS148A, HIS212A, HIS268A, ILE103B, LEU105B, LEU272A, LEU93B, LYS104B, LYS114B, LYS175A, LYS218A, LYS90B, LYS91B, LYS99B, MET106B, PHE102B, PHE108B, PHE126B, PHE225B, PHE279A, PHE84B, PHE85B, PHE97B, PRO100B, PRO121B, PRO122B, PRO167A, PRO168A, PRO269A, PRO271A, SER169A, SER247A, SER270A, SER273A, SER94B, THR129B, THR208B, TRP128B, TRP222B, TYR248A, TYR275A, VAL109B, VAL125B, VAL274A