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PISA Interface List.

Session Map (id=169-44-BC0)

Interfaces in PDB 2va6 crystal.
Space symmetry group: P 61 2 2. Resolution: 2.50 Å

X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 24

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	`164`	`50`	`16435`	`◊`	A	x,x-y,-z+1/6	`12_555`	`164`	`50`	`16435`	`1513.4`	`-1.6`	`0.687`	`22`	`0`	`0`	`0.000`
`2`		A	`71`	`22`	`16435`	`◊`	A	-y+1,-x+1,-z-1/6	`10_664`	`71`	`22`	`16435`	`589.0`	`-1.1`	`0.617`	`4`	`0`	`0`	`0.000`
`3`		A	`55`	`16`	`16435`	`x`	A	x-y+1,x,z+1/6	`6_655`	`55`	`17`	`16435`	`519.7`	`-2.7`	`0.407`	`1`	`0`	`0`	`0.000`
`4`		[H24]A:1504	`22`	`1`	`539`	`◊`	A	x,y,z	`1_555`	`48`	`20`	`16435`	`331.1`	`4.1`	`0.469`	`2`	`0`	`0`	`0.000`
`5`		A	`17`	`6`	`16435`	`x`	A	x-y,-y+1,-z	`8_565`	`25`	`6`	`16435`	`217.6`	`-1.8`	`0.245`	`2`	`3`	`0`	`0.000`
`6`		[IOD]A:1502	`1`	`1`	`144`	`◊`	A	x,y,z	`1_555`	`19`	`10`	`16435`	`79.0`	`0.1`	`0.768`	`0`	`0`	`0`	`0.000`
`7`		[IOD]A:1501	`1`	`1`	`144`	`f`	A	x,y,z	`1_555`	`16`	`7`	`16435`	`76.4`	`0.2`	`0.797`	`0`	`0`	`0`	`0.000`
`8`		[IOD]A:1503	`1`	`1`	`144`	`◊`	A	x,y,z	`1_555`	`15`	`7`	`16435`	`74.5`	`-0.1`	`0.701`	`0`	`0`	`0`	`0.000`
`9`		[H24]A:1504	`4`	`1`	`539`	`f`	A	x,x-y,-z+1/6	`12_555`	`5`	`2`	`16435`	`45.1`	`1.9`	`0.748`	`0`	`0`	`0`	`0.000`
`10`		[IOD]A:1503	`1`	`1`	`144`	`f`	A	x,x-y,-z+1/6	`12_555`	`8`	`5`	`16435`	`39.7`	`-0.3`	`0.603`	`0`	`0`	`0`	`0.000`
`11`		[IOD]A:1502	`1`	`1`	`144`	`f`	A	x-y+1,x,z+1/6	`6_655`	`2`	`1`	`16435`	`28.1`	`-0.4`	`0.301`	`0`	`0`	`0`	`0.000`
`12`		[IOD]A:1503	`1`	`1`	`144`	`◊`	[IOD]A:1503	x,x-y,-z+1/6	`12_555`	`1`	`1`	`144`	`11.6`	`0.0`	`1.000`	`0`	`0`	`0`	`0.000`

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