3KO2

i-msoi re-designed for altered dna cleavage specificity (-7c)

• Total interactions analyzed: 28
• Total true interactions: 4
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 100
  • Norm. En. per Res.: -2.963
• Hub Node: B(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	0.0	22.879	-295.079	-272.2	101	11	10	10703	0	50	39
B-F	0.0	6.0879	-1.746	4.3419	16	0	0	197	0	10	8
B-G	0.0	-4.2396	-19.8123	-24.0519	16	2	0	931	0	7	13
F-G	0.0	23.2701	-319.573	-296.3029	100	11	10	10936	0	48	40

Interface residues

• A-B: ALA12A, ALA12B, ALA13A, ALA13B, ALA145A, ALA145B, ALA16A, ALA16B, ARG102A, ARG102B, ARG144A, ARG144B, ARG51A, ARG51B, ASN140A, ASN140B, ASN142A, ASN142B, ASP146A, ASP146B, ASP20A, ASP20B, ASP22A, ASP22B, ASP53A, ASP53B, ASP60A, ASP60B, ASP63A, ASP63B, GLN107A, GLN107B, GLN50A, GLN50B, GLN59A, GLN59B, GLN64A, GLN64B, GLN8A, GLN8B, GLU11A, GLU11B, GLU147A, GLU147B, GLY17A, GLY17B, GLY21A, GLY21B, GLY23A, GLY23B, ILE103A, ILE103B, ILE15A, ILE15B, ILE49A, ILE49B, ILE61A, ILE61B, LEU101A, LEU101B, LEU141A, LEU141B, LEU19A, LEU19B, LEU58A, LEU58B, LEU65B, LEU7A, LEU7B, LEU97A, LEU97B, LYS104A, LYS104B, LYS105A, LYS105B, LYS106A, LYS106B, LYS143A, LYS143B, LYS52A, LYS52B, LYS54A, LYS54B, PHE18A, PHE18B, PRO56A, PRO56B, PRO99A, PRO99B, PRO9A, PRO9B, THR10A, THR10B, TYR100A, TYR100B, TYR14A, TYR14B, TYR57A, TYR57B, TYR62A, TYR62B
• B-F: ARG51F, ASP53F, ASP60B, ASP63B, ASP77F, GLN59B, GLN64B, GLN8B, GLY76F, GLY78F, ILE79F, LEU7B, LYS52F, LYS67B, LYS73F, THR6B
• B-G: ALA145G, ARG144G, ARG68B, ASP146G, ASP63B, GLU147G, GLY66B, GLY69B, HIS89B, ILE92B, LEU148G, LEU65B, LYS67B, THR6B, THR88B, TYR62B
• F-G: ALA12F, ALA12G, ALA13F, ALA13G, ALA145F, ALA145G, ALA16F, ALA16G, ARG102F, ARG102G, ARG144F, ARG144G, ARG51F, ARG51G, ASN140F, ASN140G, ASN142F, ASN142G, ASP146F, ASP146G, ASP20F, ASP20G, ASP22F, ASP22G, ASP53F, ASP53G, ASP60F, ASP60G, ASP63G, GLN107F, GLN107G, GLN50F, GLN50G, GLN59F, GLN59G, GLN64F, GLN64G, GLN8F, GLN8G, GLU11F, GLU11G, GLU147F, GLU147G, GLY17F, GLY17G, GLY21F, GLY21G, GLY23F, GLY23G, ILE103F, ILE103G, ILE15F, ILE15G, ILE49F, ILE49G, ILE61F, ILE61G, LEU101F, LEU101G, LEU141F, LEU141G, LEU19F, LEU19G, LEU58F, LEU58G, LEU7F, LEU7G, LEU97F, LEU97G, LYS104F, LYS104G, LYS105F, LYS105G, LYS106F, LYS106G, LYS143F, LYS143G, LYS52F, LYS52G, LYS54F, LYS54G, PHE18F, PHE18G, PHE48G, PRO56F, PRO56G, PRO99F, PRO99G, PRO9F, PRO9G, THR10F, THR10G, TYR100F, TYR100G, TYR14F, TYR14G, TYR57F, TYR57G, TYR62F, TYR62G