2I3H

structure of an ml-iap/xiap chimera bound to a 4-mer peptide (avpw)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 35
  • Norm. En. per Res.: -4.9137
• Hub Node: A(3)

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	-4.5298	13.0113	-93.6498	-85.1683	46	0	7	3541	0	10	9
A-C	-23.5643	0.0	-135.372	-158.9363	34	5	2	4238	0	0	0
A-D	0.0	0.0	-0.0334	-0.0334	2	0	0	11	0	0	0
B-D	-23.9931	0.0	-147.987	-171.9801	35	3	2	4309	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, GLN132A, GLU143A, GLY129A, GLY130A, HIS115A, HIS118A, HIS144A, LEU108A, LEU131A, LYS121A, LYS135A, LYS146A, PHE113A, PHE114A, PHE148A, PRO140A, PRO3C, SER133A, THR116A, THR142A, TRP134A, TRP147A, TRP4C, TRP97A, TYR128A, VAL103A, VAL122A, VAL2C
• A-D: TRP4D, TYR95A
• B-D: ALA1D, ARG123B, ASP120B, ASP138B, ASP139B, CYS124B, GLN132B, GLU143B, GLY117B, GLY129B, GLY130B, HIS115B, HIS118B, HIS144B, LEU108B, LEU131B, LYS121B, LYS135B, LYS146B, PHE113B, PHE114B, PHE148B, PHE81B, PRO140B, PRO3D, SER133B, THR116B, TRP134B, TRP147B, TRP4D, TRP97B, TYR128B, VAL103B, VAL122B, VAL2D