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PISA Interface List.

Session Map (id=766-I1-348)

Interfaces in PDB 3v6r crystal.
Space symmetry group: P 21 21 2. Resolution: 2.60 Å

DISCOVERY OF POTENT AND SELECTIVE COVALENT INHIBITORS OF JNK

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	`93`	`27`	`16810`	`◊`	A	x,y,z	`1_555`	`80`	`30`	`16679`	`824.3`	`-7.6`	`0.277`	`7`	`4`	`0`	`0.000`
2	`2`		B	`65`	`17`	`16810`	`◊`	A	x-1/2,-y-1/2,-z-1	`4_444`	`59`	`19`	`16679`	`606.5`	`-1.0`	`0.684`	`6`	`4`	`0`	`0.000`
3	`3`		B	`57`	`16`	`16810`	`◊`	B	-x,-y-1,z	`2_545`	`58`	`16`	`16810`	`515.2`	`-4.2`	`0.408`	`4`	`0`	`0`	`0.000`
4	`4`		B	`56`	`19`	`16810`	`◊`	A	-x+1/2,y-1/2,-z-1	`3_544`	`58`	`19`	`16679`	`506.7`	`1.1`	`0.788`	`6`	`5`	`0`	`0.000`
5	`5`		[CQQ]B:403	`35`	`1`	`777`	`cf`	B	x,y,z	`1_555`	`63`	`28`	`16810`	`492.3`	`-9.5`	`0.347`	`1`	`0`	`0`	`0.100`
	`6`		[CQQ]A:403	`34`	`1`	`778`	`cf`	A	x,y,z	`1_555`	`61`	`25`	`16679`	`481.9`	`-9.8`	`0.282`	`2`	`0`	`0`	`0.100`
	*Average:*													`487.1`	`-9.7`	`0.315`	`2`	`0`	`0`	`0.100`
6	`7`		A	`37`	`10`	`16679`	`x`	A	x,y,z-1	`1_554`	`46`	`16`	`16679`	`393.1`	`-0.4`	`0.625`	`8`	`1`	`0`	`0.000`
7	`8`		B	`40`	`11`	`16810`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`40`	`12`	`16679`	`377.4`	`-5.0`	`0.219`	`0`	`0`	`0`	`0.000`
8	`9`		B	`21`	`8`	`16810`	`x`	B	x,y,z-1	`1_554`	`21`	`9`	`16810`	`182.7`	`-2.8`	`0.272`	`0`	`0`	`0`	`0.000`
9	`10`		A	`5`	`2`	`16679`	`◊`	B	x-1/2,-y-1/2,-z-1	`4_444`	`2`	`2`	`16810`	`15.2`	`0.4`	`0.766`	`0`	`0`	`0`	`0.000`
10	`11`		B	`1`	`1`	`16810`	`◊`	A	x,y,z-1	`1_554`	`2`	`2`	`16679`	`1.6`	`-0.1`	`0.503`	`0`	`0`	`0`	`0.000`

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