3QC4

pdk1 in complex with dfg-out inhibitor xxx

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -3.0871
• 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	-25.5387	-27.1958	-191.143	-243.8776	79	7	4	6814	5	13	20

Interface residues

• A-B: ALA239A, ALA246A, ALA246B, ALA284A, ALA284B, ARG116A, ARG116B, ARG172B, ASN122A, ASN240A, ASN240B, ASN286A, ASN286B, GLN292A, GLN292B, GLU114A, GLU114B, GLU121A, GLU252A, GLU252B, GLU256A, GLU256B, GLU287A, GLU287B, GLU90A, GLU90B, GLY285A, GLY285B, GLY85A, GLY89B, GLY91B, HIS117A, HIS117B, ILE290A, ILE290B, ILE294A, ILE294B, ILE295A, ILE295B, ILE87A, ILE87B, LEU253A, LEU253B, LEU254A, LEU254B, LEU289A, LEU289B, LYS257A, LYS257B, LYS293A, LYS293B, LYS296A, LYS296B, LYS86A, LYS86B, PHE242A, PHE242B, PHE291A, PHE291B, PHE93A, PHE93B, PRO251A, PRO251B, SER250A, SER258A, SER258B, SER94B, THR255A, THR255B, THR95A, THR95B, TYR288A, TYR288B, VAL243A, VAL243B, VAL249A, VAL249B, VAL96B, VAL97B