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PISA Interface List.

Session Map (id=377-66-4G3)

Interfaces in PDB 3s2o crystal.
Space symmetry group: P 61 2 2. Resolution: 2.60 Å

FRAGMENT BASED DISCOVERY AND OPTIMISATION OF BACE-1 INHIBITORS

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	`185`	`49`	`16776`	`◊`	A	x,x-y+1,-z+1/6	`12_565`	`185`	`50`	`16776`	`1608.4`	`0.0`	`0.743`	`19`	`6`	`0`	`0.000`
`2`		A	`59`	`17`	`16776`	`x`	A	x-y,x,z+1/6	`6_555`	`59`	`18`	`16776`	`529.0`	`-1.9`	`0.458`	`1`	`0`	`0`	`0.000`
`3`		A	`49`	`18`	`16776`	`◊`	A	-y+1,-x+1,-z-1/6	`10_664`	`49`	`18`	`16776`	`384.1`	`-4.4`	`0.248`	`2`	`0`	`0`	`0.000`
`4`		[EV6]A:393	`23`	`1`	`539`	`f`	A	x,y,z	`1_555`	`47`	`19`	`16776`	`330.8`	`-5.5`	`0.367`	`3`	`0`	`0`	`0.092`
`5`		A	`27`	`7`	`16776`	`x`	A	x-y,-y+1,-z	`8_565`	`16`	`6`	`16776`	`225.7`	`-1.8`	`0.255`	`3`	`2`	`0`	`0.000`
`6`		[IOD]A:394	`1`	`1`	`144`	`◊`	A	x,y,z	`1_555`	`21`	`9`	`16776`	`80.6`	`-0.2`	`0.686`	`0`	`0`	`0`	`0.000`
`7`		[IOD]A:395	`1`	`1`	`144`	`◊`	A	x,y,z	`1_555`	`17`	`7`	`16776`	`78.7`	`0.4`	`0.836`	`0`	`0`	`0`	`0.000`
`8`		[EV6]A:393	`8`	`1`	`539`	`◊`	A	x,x-y+1,-z+1/6	`12_565`	`5`	`2`	`16776`	`48.5`	`0.4`	`0.653`	`0`	`0`	`0`	`0.000`
`9`		[IOD]A:395	`1`	`1`	`144`	`f`	A	x,x-y+1,-z+1/6	`12_565`	`6`	`3`	`16776`	`39.9`	`-0.2`	`0.605`	`0`	`0`	`0`	`0.003`
`10`		[IOD]A:394	`1`	`1`	`144`	`f`	A	x-y,x,z+1/6	`6_555`	`2`	`1`	`16776`	`27.9`	`-0.4`	`0.325`	`0`	`0`	`0`	`0.005`
`11`		[IOD]A:395	`1`	`1`	`144`	`◊`	[IOD]A:395	x,x-y+1,-z+1/6	`12_565`	`1`	`1`	`144`	`6.0`	`0.0`	`1.000`	`0`	`0`	`0`	`0.000`

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