1TW6

structure of an ml-iap/xiap chimera bound to a 9mer peptide derived from smac

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 34
  • Norm. En. per Res.: -5.2309
• 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	-7.547	11.8286	-90.0854	-85.8037	46	1	7	3508	0	10	9
A-C	-29.1476	0.0	-114.226	-143.3736	33	3	3	3868	0	0	0
B-D	-46.5774	0.0	-131.272	-177.8494	34	6	3	4534	0	0	0

Interface residues

• A-B: ALA109A, ALA80B, ALA92A, ALA92B, ARG123B, ARG90A, ARG90B, ASP96A, ASP96B, GLU106A, GLU87A, GLU88A, GLU88B, GLY117A, GLY117B, GLY83A, GLY83B, HIS115B, HIS118A, HIS118B, LEU89A, LEU89B, LEU91A, LEU91B, MET84A, MET84B, PHE114A, PHE114B, PHE125B, PHE81A, PHE81B, PHE94A, PHE94B, PRO105A, PRO82B, SER86A, SER86B, SER93A, SER93B, THR100A, THR116A, THR116B, TRP97A, TYR128B, TYR95A, TYR95B
• A-C: ALA1C, ARG123A, ASP120A, ASP138A, ASP139A, CYS124A, GLN119A, GLN132A, GLU143A, GLY129A, GLY130A, HIS118A, HIS144A, ILE4C, LEU108A, LEU131A, LYS121A, LYS135A, LYS146A, PHE113A, PHE148A, PRO140A, PRO3C, SER133A, THR116A, THR142A, TRP134A, TRP147A, TRP97A, TYR128A, VAL103A, VAL122A, VAL2C
• B-D: ALA1D, ALA5D, ARG123B, ASP120B, ASP138B, ASP139B, GLN119B, GLN132B, GLN6D, GLU143B, GLY129B, GLY130B, HIS115B, HIS118B, HIS144B, ILE4D, LEU108B, LEU131B, LYS121B, LYS135B, LYS146B, PHE113B, PHE114B, PHE148B, PRO140B, PRO3D, SER133B, THR116B, TRP134B, TRP147B, TYR128B, VAL103B, VAL122B, VAL2D