1QNH

plasmodium falciparum cyclophilin (double mutant) complexed with cyclosporin a

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 54
  • Norm. En. per Res.: -2.7504
• Hub Node: A(2)

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	-22.956	-27.4798	-98.0858	-148.5215	54	1	0	4168	2	25	30
A-C	0.0	0.0	-3.5988	-3.5988	13	0	0	248	0	0	0
B-D	0.0	0.0	-4.8496	-4.8496	14	0	0	282	0	0	0

Interface residues

• A-B: ALA39B, ARG147A, ARG20B, ARG38B, ARG4A, ARG4B, ASN144A, ASN52B, ASP100A, ASP167B, CYS168B, CYS41B, GLN101A, GLU141A, GLU148A, GLU170B, GLU24A, GLU35B, GLU44B, GLY103A, GLY142A, GLY169B, GLY43B, HIS99A, ILE140A, ILE22A, ILE22B, ILE46B, LEU104A, LEU123A, LYS138A, LYS151A, LYS3A, LYS3B, LYS45B, LYS6A, LYS6B, LYS98A, MET143A, PHE8B, PRO102A, PRO125A, PRO127A, SER2B, SER5A, SER5B, THR42B, TRP171A, TRP171B, VAL124A, VAL139A, VAL145A, VAL146A, VAL7B
• A-C: ALA110A, ALA211C, ARG62A, ASN78A, GLN70A, GLY157A, GLY79A, HIS61A, ILE64A, PHE67A, SER156A, SER80A, VAL209C
• B-D: ALA110B, ALA211D, ARG62B, ASN78B, GLN70B, GLY157B, GLY79B, HIS61B, ILE64B, MET68B, PHE67B, SER156B, SER80B, VAL209D