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PISA Interface List.

Session Map (id=662-DN-6P1)

Interfaces in PDB 4gmi crystal.
Space symmetry group: P 21 21 21. Resolution: 1.80 Å

BACE-1 IN COMPLEX WITH HEA-TYPE MACROCYCLIC INHIBITOR, MV078571

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`		[0XA]A:401	`35`	`1`	`755`	`f`	A	x,y,z	`1_555`	`69`	`30`	`16321`	`567.4`	`-4.6`	`0.569`	`7`	`0`	`0`	`0.071`
`2`		A	`49`	`16`	`16321`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`64`	`19`	`16321`	`498.1`	`-2.5`	`0.411`	`9`	`5`	`0`	`0.000`
`3`		A	`31`	`8`	`16321`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`26`	`10`	`16321`	`334.0`	`-3.7`	`0.131`	`6`	`0`	`0`	`0.000`
`4`		A	`26`	`7`	`16321`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`34`	`12`	`16321`	`259.2`	`0.9`	`0.730`	`2`	`1`	`0`	`0.000`
`5`		A	`29`	`9`	`16321`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`26`	`8`	`16321`	`219.5`	`-1.6`	`0.413`	`3`	`0`	`0`	`0.000`
`6`		A	`24`	`11`	`16321`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`21`	`9`	`16321`	`199.8`	`0.2`	`0.536`	`4`	`0`	`0`	`0.000`
`7`		[ACT]A:402	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`12`	`6`	`16321`	`100.8`	`-0.0`	`0.698`	`2`	`0`	`0`	`0.009`
`8`		[GOL]A:403	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`12`	`4`	`16321`	`81.9`	`-0.7`	`0.492`	`2`	`0`	`0`	`0.014`
`9`		[ACT]A:402	`4`	`1`	`184`	`f`	[0XA]A:401	x,y,z	`1_555`	`8`	`1`	`755`	`58.4`	`-0.6`	`0.702`	`0`	`0`	`0`	`0.006`
`10`		A	`2`	`1`	`16321`	`x`	A	x-1,y,z	`1_455`	`1`	`1`	`16321`	`11.4`	`0.2`	`0.403`	`0`	`0`	`0`	`0.000`
`11`		A	`1`	`1`	`16321`	`◊`	[GOL]A:403	x-1/2,-y+1/2,-z	`4_455`	`1`	`1`	`218`	`2.3`	`0.1`	`0.640`	`0`	`0`	`0`	`0.000`

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