2UZV

pka structures of indazole-pyridine series of akt inhibitors

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: 2-A
  • Int. Res.: 97
  • Norm. En. per Res.: -5.1617
• Hub Node: 2(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
2-A	-79.3725	-132.5891	-288.721	-500.6826	97	24	3	11287	11	34	25

Interface residues

• 2-A: ALA122, ALA212, ALA233A, ALA240A, ALA82, ARG133A, ARG137A, ARG152, ARG165A, ARG182, ARG192, ARG256A, ASN171A, ASN202, ASN326A, ASP166A, ASP184A, ASP241A, ASP242, ASP328A, ASP329A, ASP92, CYS199A, GLN242A, GLN245A, GLN84A, GLU127A, GLU170A, GLU203A, GLU230A, GLY126A, GLY136A, GLY142, GLY172, GLY186A, GLY200A, GLY234A, GLY50A, GLY52A, GLY55A, HIS131A, HIS232, HIS260A, HIS87A, ILE112, ILE135A, ILE209A, ILE210A, ILE222, ILE244A, ILE246A, LEU132A, LEU167A, LEU172A, LEU173A, LEU198A, LEU205A, LEU227A, LEU49A, LEU82A, LYS168A, LYS78A, LYS81A, LYS83A, PHE102, PHE129A, PHE187A, PHE238A, PHE239A, PHE257A, PHE327A, PHE54A, PRO169A, PRO202A, PRO236A, PRO237A, PRO243A, PRO258A, SER130A, SER132, SER259A, SER53A, THR162, THR197A, THR201A, THR51A, THR52, THR62, TYR204A, TYR229A, TYR235A, TYR247A, TYR330A, TYR72, VAL226A, VAL79A, VAL80A