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PISA Interface List.

Session Map (id=283-5N-LE6)

Interfaces in PDB 6e4f crystal.
Space symmetry group: P 21 21 2. Resolution: 1.15 Å

CRYSTAL STRUCTURE OF ARQ 531 IN COMPLEX WITH THE KINASE DOMAIN OF BTK

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	`74`	`18`	`13491`	`x`	A	x,y,z-1	`1_554`	`82`	`25`	`13491`	`755.9`	`-0.2`	`0.665`	`12`	`4`	`0`	`0.000`
`2`		[HRA]A:701	`34`	`1`	`697`	`f`	A	x,y,z	`1_555`	`65`	`22`	`13491`	`476.4`	`-0.7`	`0.285`	`1`	`0`	`0`	`0.000`
`3`		A	`43`	`12`	`13491`	`x`	A	-x+1/2,y-1/2,-z	`3_545`	`46`	`11`	`13491`	`430.1`	`-4.4`	`0.265`	`1`	`0`	`0`	`0.000`
`4`		A	`36`	`13`	`13491`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`36`	`13`	`13491`	`346.4`	`1.2`	`0.693`	`4`	`6`	`0`	`0.000`
`5`		A	`28`	`7`	`13491`	`x`	A	-x+1/2,y-1/2,-z+1	`3_546`	`33`	`9`	`13491`	`282.4`	`-4.2`	`0.175`	`0`	`0`	`0`	`0.000`
`6`		[IMD]A:703	`5`	`1`	`197`	`f`	A	x,y,z	`1_555`	`20`	`7`	`13491`	`124.6`	`3.2`	`0.338`	`1`	`0`	`0`	`0.000`
`7`		[EDO]A:704	`4`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`22`	`8`	`13491`	`113.5`	`2.3`	`0.367`	`2`	`0`	`0`	`0.000`
`8`		[EDO]A:705	`4`	`1`	`184`	`◊`	A	x,y,z	`1_555`	`14`	`5`	`13491`	`87.7`	`2.6`	`0.449`	`0`	`0`	`0`	`0.000`
`9`		[IMD]A:702	`5`	`1`	`195`	`◊`	A	x,y,z	`1_555`	`11`	`4`	`13491`	`84.1`	`2.6`	`0.233`	`1`	`0`	`0`	`0.000`
`10`		[IMD]A:702	`5`	`1`	`195`	`f`	A	x-1/2,-y+1/2,-z	`4_455`	`14`	`6`	`13491`	`79.1`	`1.8`	`0.183`	`1`	`0`	`0`	`0.000`
`11`		[EDO]A:705	`3`	`1`	`184`	`f`	A	x-1/2,-y+1/2,-z	`4_455`	`3`	`1`	`13491`	`30.3`	`1.3`	`0.949`	`1`	`0`	`0`	`0.000`
`12`		A	`2`	`2`	`13491`	`f`	[EDO]A:704	-x+1/2,y-1/2,-z	`3_545`	`2`	`1`	`185`	`15.5`	`0.7`	`0.897`	`0`	`0`	`0`	`0.000`

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