2IT0

crystal structure of a two-domain ider-dna complex crystal form ii

• Total interactions analyzed: 15
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -3.1619
• 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	-51.2863	39.3553	-237.858	-249.789	79	17	15	10307	0	44	31
A-C	0.0	0.0	-0.3007	-0.3007	4	0	0	39	0	0	0
C-D	-51.7714	56.6495	-224.953	-220.0749	78	9	14	9898	0	43	31

Interface residues

• A-B: ALA101A, ALA101B, ALA82A, ALA82B, ALA99A, ALA99B, ARG103A, ARG103B, ARG114A, ARG114B, ARG115A, ARG115B, ASP111A, ASP111B, ASP6A, ASP6B, ASP88A, ASP88B, CYS102A, CYS102B, GLU100A, GLU100B, GLU105A, GLU105B, GLU110A, GLU110B, GLU113A, GLU113B, GLU3A, GLU3B, GLU95B, GLU96A, GLU96B, GLY91A, GLY91B, HIS106A, HIS106B, ILE90A, ILE90B, LEU116A, LEU116B, LEU120A, LEU120B, LEU4B, LEU85A, LEU85B, LEU86A, LEU86B, LEU92A, LEU92B, LYS118A, LYS118B, LYS78A, LYS78B, MET108A, MET108B, PRO93A, PRO93B, SER109A, SER109B, TRP104A, TRP104B, TRP94A, VAL107A, VAL107B, VAL112A, VAL112B, VAL117A, VAL117B, VAL119A, VAL119B, VAL5A, VAL5B, VAL87A, VAL87B, VAL89A, VAL89B, VAL97A, VAL97B
• A-C: ARG47A, ARG47C, GLN43A, GLN43C
• C-D: ALA101C, ALA101D, ALA82C, ALA82D, ALA99C, ALA99D, ARG103C, ARG103D, ARG114C, ARG114D, ARG115C, ARG115D, ASP111C, ASP111D, ASP6C, ASP6D, ASP88C, ASP88D, CYS102C, CYS102D, GLU100C, GLU100D, GLU105C, GLU105D, GLU110C, GLU110D, GLU113C, GLU113D, GLU3C, GLU3D, GLU96C, GLU96D, GLY91C, GLY91D, HIS106C, HIS106D, ILE90C, ILE90D, LEU116C, LEU116D, LEU120C, LEU120D, LEU4C, LEU4D, LEU85C, LEU85D, LEU86C, LEU86D, LEU92C, LEU92D, LYS118C, LYS118D, LYS78C, LYS78D, MET108C, MET108D, PRO93C, PRO93D, SER109C, SER109D, TRP104C, TRP104D, VAL107C, VAL107D, VAL112C, VAL112D, VAL117C, VAL117D, VAL119C, VAL119D, VAL5C, VAL5D, VAL87C, VAL87D, VAL89C, VAL89D, VAL97C, VAL97D