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PISA Interface List.

Session Map (id=629-94-3N3)

Interfaces in PDB 4ej5 crystal.
Space symmetry group: P 1 21 1. Resolution: 1.87 Å

CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF BOTULINUM NEUROTOXIN BONT/A WILD-TYPE

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	`71`	`24`	`19029`	`x`	A	-x,y-1/2,-z+1	`2_546`	`82`	`22`	`19029`	`803.0`	`-5.4`	`0.401`	`6`	`6`	`0`	`0.000`
`2`		A	`63`	`23`	`19029`	`x`	A	-x,y-1/2,-z	`2_545`	`60`	`17`	`19029`	`564.9`	`-2.9`	`0.494`	`5`	`0`	`0`	`0.000`
`3`		A	`43`	`11`	`19029`	`x`	A	x-1,y,z	`1_455`	`40`	`13`	`19029`	`359.9`	`1.3`	`0.801`	`3`	`1`	`0`	`0.000`
`4`		A	`30`	`8`	`19029`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`37`	`16`	`19029`	`284.0`	`2.5`	`0.891`	`5`	`1`	`0`	`0.000`
`5`		[EDO]A:503	`4`	`1`	`184`	`◊`	A	x,y,z	`1_555`	`20`	`11`	`19029`	`110.9`	`3.4`	`0.495`	`4`	`0`	`0`	`0.000`
`6`		[EDO]A:502	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`21`	`7`	`19029`	`109.9`	`3.1`	`0.428`	`1`	`0`	`0`	`0.000`
`7`		[CO3]A:507	`4`	`1`	`164`	`f`	A	x,y,z	`1_555`	`21`	`6`	`19029`	`106.0`	`0.9`	`0.644`	`0`	`0`	`0`	`0.000`
`8`		[GOL]A:508	`6`	`1`	`215`	`f`	A	x,y,z	`1_555`	`20`	`6`	`19029`	`105.7`	`-0.4`	`0.591`	`1`	`0`	`0`	`0.002`
`9`		[EDO]A:504	`4`	`1`	`181`	`◊`	A	x,y,z	`1_555`	`21`	`8`	`19029`	`103.1`	`2.9`	`0.485`	`2`	`0`	`0`	`0.000`
`10`		A	`13`	`3`	`19029`	`x`	A	x,y-1,z	`1_545`	`13`	`4`	`19029`	`97.8`	`-0.7`	`0.509`	`0`	`0`	`0`	`0.000`
`11`		A	`12`	`3`	`19029`	`x`	A	-x+1,y-1/2,-z	`2_645`	`11`	`4`	`19029`	`82.3`	`-1.3`	`0.360`	`0`	`0`	`0`	`0.000`
`12`		[IMD]A:506	`5`	`1`	`197`	`◊`	A	x,y,z	`1_555`	`8`	`3`	`19029`	`75.6`	`2.8`	`0.246`	`0`	`0`	`0`	`0.000`
`13`		[SO4]A:505	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`13`	`5`	`19029`	`65.0`	`-9.0`	`0.724`	`1`	`0`	`0`	`0.023`
`14`		[ZN]A:501	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`8`	`5`	`19029`	`51.0`	`-36.3`	`0.000`	`0`	`0`	`0`	`0.087`
`15`		A	`4`	`1`	`19029`	`f`	[EDO]A:503	x-1,y,z	`1_455`	`3`	`1`	`184`	`35.6`	`1.2`	`0.888`	`0`	`0`	`0`	`0.000`
`16`		[SO4]A:505	`3`	`1`	`185`	`◊`	A	-x,y-1/2,-z+1	`2_546`	`3`	`1`	`19029`	`30.6`	`-3.6`	`0.941`	`1`	`0`	`0`	`0.000`
`17`		[IMD]A:506	`2`	`1`	`197`	`f`	A	-x,y-1/2,-z+1	`2_546`	`2`	`1`	`19029`	`13.6`	`0.2`	`0.200`	`0`	`0`	`0`	`0.000`
`18`		[EDO]A:504	`1`	`1`	`181`	`f`	A	-x,y-1/2,-z	`2_545`	`1`	`1`	`19029`	`1.4`	`0.1`	`0.858`	`0`	`0`	`0`	`0.000`

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