1SHJ

caspase-7 in complex with dica allosteric inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 134
  • Norm. En. per Res.: -3.5601
• 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	-75.5252	-48.4805	-353.047	-477.0527	134	15	7	14637	3	43	44

Interface residues

• A-B: ALA169B, ALA217A, ALA217B, ALA222A, ALA270A, ALA270B, ARG167A, ARG167B, ARG187A, ARG187B, ARG210A, ARG210B, ARG264A, ARG264B, ARG268A, ARG268B, ARG271A, ARG271B, ASN148A, ASN148B, ASN266A, ASN266B, ASP218A, ASP218B, ASP267A, ASP267B, CYS290A, CYS290B, GLN260A, GLN260B, GLN287A, GLN287B, GLN59A, GLN59B, GLU147A, GLU147B, GLU176A, GLU176B, GLU216A, GLU216B, GLU251A, GLU251B, GLU257A, GLU257B, GLU274B, GLU298A, GLU298B, GLY168A, GLY168B, HIS252A, HIS252B, ILE213A, ILE213B, ILE248A, ILE248B, ILE258A, ILE258B, ILE261A, ILE261B, ILE288A, ILE288B, LEU175A, LEU175B, LEU220A, LEU220B, LEU256A, LEU256B, LEU262A, LEU262B, LEU295A, LEU295B, LEU299A, LEU299B, LYS160A, LYS212A, LYS212B, LYS286A, LYS286B, LYS297A, LYS297B, MET259A, MET259B, MET294A, MET294B, PHE219A, PHE219B, PHE221A, PHE221B, PHE273A, PHE273B, PRO158A, PRO158B, PRO209A, PRO209B, PRO214A, PRO214B, PRO289A, PRO289B, PRO56B, SER224A, SER224B, SER293A, SER293B, THR225A, THR225B, THR263A, THR263B, THR296A, THR296B, THR57A, THR57B, TYR211A, TYR211B, TYR223A, TYR223B, TYR300A, TYR300B, TYR58A, TYR58B, TYR60A, TYR60B, VAL149B, VAL215A, VAL215B, VAL226B, VAL265A, VAL265B, VAL269A, VAL269B, VAL291A, VAL291B, VAL292A, VAL292B, VAL55B