3CHT

crystal structure of di-iron aurf with partially bound ligand

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 115
  • Norm. En. per Res.: -2.6323
• 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	-3.1409	-27.3971	-272.173	-302.7111	115	4	13	12215	0	52	48

Interface residues

• A-B: ALA132A, ALA132B, ALA34A, ALA34B, ALA39A, ALA39B, ALA40A, ALA40B, ALA45A, ALA45B, ARG126A, ARG126B, ARG149A, ARG149B, ARG151A, ARG151B, ARG33A, ARG33B, ARG37A, ARG37B, ARG38A, ARG38B, ASN43A, ASN43B, ASP110A, ASP110B, ASP121A, ASP121B, ASP122A, ASP122B, ASP135A, ASP135B, ASP148A, ASP148B, ASP46A, ASP46B, ASP49A, ASP49B, GLN102A, GLN102B, GLN130A, GLN130B, GLN131A, GLN131B, GLU101A, GLU101B, GLU106A, GLU106B, GLU136A, GLU136B, GLU152A, GLU152B, GLY29A, GLY29B, HIS114A, HIS114B, HIS139A, HIS139B, HIS143A, HIS143B, ILE125A, ILE125B, ILE133A, ILE133B, ILE147A, ILE147B, ILE47A, ILE47B, ILE98A, ILE98B, LEU103A, LEU103B, LEU124A, LEU124B, LEU145A, LEU145B, LEU48A, LEU48B, LYS127A, LYS127B, LYS44A, LYS44B, MET113A, MET113B, MET142A, MET142B, MET144A, MET144B, PHE138A, PHE138B, PRO123A, PRO123B, PRO36A, PRO36B, SER128A, SER128B, SER137A, SER137B, THR140A, THR140B, TRP35A, TRP35B, TYR141A, TYR141B, TYR168A, VAL129A, VAL129B, VAL134A, VAL134B, VAL32A, VAL32B, VAL41A, VAL41B, VAL42A, VAL42B