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PISA Interface List.

Session Map (id=974-IN-J3D)

Interfaces in PDB 4k8a crystal.
Space symmetry group: P 21 21 21. Resolution: 2.91 Å

FRAGMENT-BASED DISCOVERY OF FOCAL ADHESION KINASE INHIBITORS

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`57`	`16`	`12744`	`◊`	A	x,y,z	`1_555`	`57`	`16`	`12619`	`605.5`	`6.1`	`0.943`	`8`	`0`	`0`	`0.000`
2	`2`		B	`39`	`11`	`12744`	`x`	B	x-1/2,-y+1/2,-z	`4_455`	`42`	`15`	`12744`	`428.7`	`-2.2`	`0.383`	`3`	`0`	`0`	`0.000`
3	`3`		A	`47`	`15`	`12619`	`◊`	B	-x,y-1/2,-z+1/2	`3_545`	`45`	`16`	`12744`	`373.9`	`-4.4`	`0.223`	`1`	`2`	`0`	`0.000`
4	`4`		[K8A]A:701	`12`	`1`	`334`	`f`	A	x,y,z	`1_555`	`33`	`15`	`12619`	`242.7`	`0.9`	`0.373`	`2`	`0`	`0`	`0.100`
	`5`		[K8A]B:701	`12`	`1`	`332`	`f`	B	x,y,z	`1_555`	`32`	`14`	`12744`	`229.8`	`0.6`	`0.316`	`2`	`0`	`0`	`0.100`
	*Average:*													`236.2`	`0.8`	`0.345`	`2`	`0`	`0`	`0.100`
5	`6`		A	`31`	`6`	`12619`	`◊`	B	x-1,y,z	`1_455`	`25`	`8`	`12744`	`205.1`	`-0.6`	`0.567`	`3`	`0`	`0`	`0.000`
6	`7`		B	`24`	`9`	`12744`	`◊`	A	-x-1/2,-y,z-1/2	`2_454`	`23`	`8`	`12619`	`192.4`	`0.8`	`0.584`	`3`	`2`	`0`	`0.000`
7	`8`		B	`25`	`10`	`12744`	`x`	B	x-1,y,z	`1_455`	`20`	`6`	`12744`	`191.4`	`-0.9`	`0.489`	`4`	`2`	`0`	`0.000`
8	`9`		B	`17`	`5`	`12744`	`x`	B	x-1/2,-y-1/2,-z	`4_445`	`20`	`5`	`12744`	`156.1`	`0.8`	`0.711`	`2`	`3`	`0`	`0.000`
9	`10`		A	`20`	`6`	`12619`	`◊`	B	x-1/2,-y-1/2,-z	`4_445`	`14`	`3`	`12744`	`153.3`	`1.3`	`0.780`	`2`	`0`	`0`	`0.000`
10	`11`		A	`10`	`5`	`12619`	`x`	A	x-1,y,z	`1_455`	`18`	`6`	`12619`	`138.9`	`0.7`	`0.736`	`1`	`1`	`0`	`0.000`
11	`12`		A	`11`	`6`	`12619`	`x`	A	-x-1,y-1/2,-z+1/2	`3_445`	`14`	`5`	`12619`	`122.6`	`-2.2`	`0.169`	`1`	`0`	`0`	`0.000`
12	`13`		A	`10`	`3`	`12619`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`13`	`7`	`12619`	`118.9`	`0.6`	`0.652`	`3`	`0`	`0`	`0.000`
13	`14`		A	`1`	`1`	`12619`	`◊`	B	-x-1,y-1/2,-z+1/2	`3_445`	`1`	`1`	`12744`	`0.9`	`-0.0`	`0.619`	`0`	`0`	`0`	`0.000`

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