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PISA Interface List.

Session Map (id=531-H9-2CD)

Interfaces in PDB 3v6s crystal.
Space symmetry group: P 21 21 2. Resolution: 2.97 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	`99`	`27`	`16282`	`◊`	A	x,y,z	`1_555`	`85`	`29`	`16658`	`859.5`	`-6.7`	`0.396`	`9`	`4`	`0`	`0.000`
2	`2`		B	`61`	`18`	`16282`	`◊`	A	x-1/2,-y-1/2,-z-1	`4_444`	`59`	`17`	`16658`	`612.8`	`-1.3`	`0.675`	`6`	`2`	`0`	`0.000`
3	`3`		[0F0]A:501	`37`	`1`	`798`	`cf`	A	x,y,z	`1_555`	`74`	`29`	`16658`	`535.3`	`-8.5`	`0.392`	`1`	`0`	`0`	`0.100`
	`4`		[0F0]B:501	`37`	`1`	`798`	`cf`	B	x,y,z	`1_555`	`68`	`27`	`16282`	`496.5`	`-9.6`	`0.315`	`1`	`0`	`0`	`0.100`
	*Average:*													`515.9`	`-9.1`	`0.354`	`1`	`0`	`0`	`0.100`
4	`5`		B	`53`	`13`	`16282`	`◊`	B	-x,-y-1,z	`2_545`	`53`	`13`	`16282`	`478.4`	`-5.3`	`0.302`	`4`	`0`	`0`	`0.000`
5	`6`		A	`41`	`10`	`16658`	`x`	A	x,y,z-1	`1_554`	`52`	`17`	`16658`	`406.6`	`-0.8`	`0.623`	`8`	`1`	`0`	`0.000`
6	`7`		B	`41`	`11`	`16282`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`45`	`14`	`16658`	`394.4`	`-5.2`	`0.227`	`3`	`0`	`0`	`0.000`
7	`8`		B	`45`	`17`	`16282`	`◊`	A	-x+1/2,y-1/2,-z-1	`3_544`	`44`	`13`	`16658`	`372.9`	`-0.8`	`0.618`	`3`	`2`	`0`	`0.000`
8	`9`		B	`18`	`8`	`16282`	`x`	B	x,y,z-1	`1_554`	`20`	`10`	`16282`	`185.6`	`-3.2`	`0.190`	`0`	`0`	`0`	`0.000`
9	`10`		A	`5`	`2`	`16658`	`◊`	B	x-1/2,-y-1/2,-z-1	`4_444`	`4`	`3`	`16282`	`23.5`	`0.4`	`0.733`	`0`	`0`	`0`	`0.000`
10	`11`		B	`1`	`1`	`16282`	`◊`	A	x,y,z-1	`1_554`	`1`	`1`	`16658`	`5.0`	`-0.2`	`0.304`	`0`	`0`	`0`	`0.000`

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