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PISA Interface List.

Session Map (id=725-6M-N8M)

Interfaces in PDB 5li8 crystal.
Space symmetry group: C 1 2 1. Resolution: 1.83 Å

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS CYP126A1 IN COMPLEX WITH KETOCONAZOLE

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
`1`		A	`73`	`26`	`17066`	`◊`	A	-x,y,-z	`2_555`	`75`	`26`	`17066`	`706.3`	`-10.2`	`0.081`	`2`	`0`	`0`	`0.000`
`2`		[HEM]A:501	`43`	`1`	`831`	`f`	A	x,y,z	`1_555`	`88`	`36`	`17066`	`573.5`	`-21.0`	`0.323`	`5`	`0`	`0`	`0.069`
`3`		[KKK]A:502	`32`	`1`	`758`	`f`	A	x,y,z	`1_555`	`74`	`23`	`17066`	`519.3`	`-8.7`	`0.295`	`0`	`0`	`0`	`0.026`
`4`		A	`50`	`18`	`17066`	`x`	A	-x-1/2,y-1/2,-z	`4_445`	`46`	`19`	`17066`	`454.4`	`-1.8`	`0.522`	`7`	`0`	`0`	`0.000`
`5`		A	`33`	`12`	`17066`	`x`	A	-x-1/2,y-1/2,-z+1	`4_446`	`34`	`11`	`17066`	`306.7`	`0.0`	`0.683`	`4`	`0`	`0`	`0.000`
`6`		[KKK]A:502	`9`	`1`	`758`	`f`	[HEM]A:501	x,y,z	`1_555`	`28`	`1`	`831`	`120.6`	`-1.6`	`0.796`	`0`	`0`	`0`	`0.005`
`7`		A	`9`	`4`	`17066`	`x`	A	x,y-1,z	`1_545`	`4`	`1`	`17066`	`58.7`	`1.4`	`0.838`	`1`	`2`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]