2F7E

pka complexed with (s)-2-(1h-indol-3-yl)-1-(5-isoquinolin-6- yl-pyridin-3-yloxymethyl-etylamine

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: E-I
  • Int. Res.: 92
  • Norm. En. per Res.: -5.5223
• Hub Node: E(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
E-I	-97.594	-139.6114	-270.842	-508.0474	92	15	3	10174	12	34	23

Interface residues

• E-I: ALA12I, ALA21I, ALA233E, ALA240E, ALA8I, ARG133E, ARG137E, ARG15I, ARG165E, ARG18I, ARG19I, ARG256E, ASN171E, ASN20I, ASN326E, ASP166E, ASP184E, ASP241E, ASP24I, ASP328E, ASP329E, ASP9I, CYS199E, GLN242E, GLN245E, GLN84E, GLU127E, GLU170E, GLU203E, GLU230E, GLY126E, GLY136E, GLY14I, GLY17I, GLY200E, GLY234E, GLY50E, GLY52E, HIS131E, HIS23I, HIS260E, HIS87E, ILE11I, ILE135E, ILE209E, ILE210E, ILE22I, ILE246E, LEU132E, LEU167E, LEU173E, LEU198E, LEU205E, LEU227E, LEU49E, LEU82E, LYS168E, LYS249E, LYS81E, LYS83E, PHE10I, PHE129E, PHE187E, PHE238E, PHE239E, PHE257E, PHE327E, PHE54E, PRO169E, PRO202E, PRO236E, PRO237E, PRO243E, PRO258E, SER130E, SER13I, SER259E, SER53E, THR16I, THR197E, THR201E, THR51E, THR5I, THR6I, TYR204E, TYR229E, TYR235E, TYR247E, TYR330E, TYR7I, VAL226E, VAL79E