2V96

structure of the unphotolysed complex of tcache with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100k

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 88
  • Norm. En. per Res.: -3.8249
• 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	-36.8225	-71.7025	-228.062	-336.587	88	9	12	9966	3	20	8

Interface residues

• A-B: ALA370A, ALA370B, ALA534A, ALA534B, ARG349A, ARG515A, ARG515B, ARG517A, ARG517B, ASN364A, ASN364B, ASN382A, ASN382B, ASN383B, ASN533A, ASN533B, ASP365A, ASP365B, ASP369A, ASP369B, ASP377A, ASP377B, ASP380A, ASP380B, ASP381A, ASP381B, CYS521A, CYS521B, GLN374A, GLN374B, GLN500A, GLN500B, GLN514A, GLN514B, GLN519A, GLN519B, GLN526A, GLN526B, GLY367A, GLY367B, HIS513B, LEU366A, LEU366B, LEU368A, LEU368B, LEU373A, LEU373B, LEU516A, LEU516B, LEU528A, LEU528B, LEU531A, LEU531B, LEU532A, LEU532B, LYS498B, LYS530A, LYS530B, MET379A, MET379B, MET520A, MET520B, PHE502A, PHE502B, PHE523A, PHE523B, PHE527A, PHE527B, PRO529A, PRO529B, THR372A, THR372B, THR376A, THR376B, THR535A, THR535B, TRP378A, TRP378B, TRP524A, TRP524B, TYR375A, TYR375B, VAL371A, VAL371B, VAL518A, VAL518B, VAL522A, VAL522B