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PISA Interface List.

Session Map (id=293-DC-2I1)

Interfaces in PDB 3psd crystal.
Space symmetry group: P 41 21 2. Resolution: 3.60 Å

NON-OXIME PYRAZOLE BASED INHIBITORS OF B-RAF KINASE

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	`120`	`32`	`13345`	`◊`	A	x,y,z	`1_555`	`127`	`32`	`13232`	`1223.9`	`-2.2`	`0.620`	`17`	`5`	`0`	`0.000`
2	`2`		A	`70`	`19`	`13232`	`◊`	B	-y+1/2,x+1/2,z+1/4	`3_555`	`67`	`19`	`13345`	`695.0`	`-1.4`	`0.579`	`13`	`4`	`0`	`0.000`
3	`3`		B	`50`	`12`	`13345`	`◊`	A	-x+1/2,y-1/2,-z+1/4	`5_545`	`46`	`13`	`13232`	`430.8`	`-0.9`	`0.546`	`2`	`0`	`0`	`0.000`
4	`4`		[SM7]B:2	`29`	`1`	`606`	`f`	B	x,y,z	`1_555`	`66`	`23`	`13345`	`430.2`	`-1.3`	`0.422`	`1`	`0`	`0`	`0.100`
	`5`		[SM7]A:1	`29`	`1`	`605`	`f`	A	x,y,z	`1_555`	`62`	`24`	`13232`	`418.4`	`-1.5`	`0.407`	`0`	`0`	`0`	`0.100`
	*Average:*													`424.3`	`-1.4`	`0.414`	`1`	`0`	`0`	`0.100`
5	`6`		A	`42`	`14`	`13232`	`◊`	A	-y+1,-x+1,-z+1/2	`8_665`	`42`	`14`	`13232`	`397.4`	`-0.1`	`0.654`	`4`	`0`	`0`	`0.000`
6	`7`		B	`21`	`8`	`13345`	`◊`	A	-y+1/2,x-1/2,z+1/4	`3_545`	`22`	`8`	`13232`	`179.6`	`0.9`	`0.723`	`2`	`0`	`0`	`0.000`
7	`8`		B	`14`	`4`	`13345`	`x`	B	-x+1/2,y-1/2,-z+1/4	`5_545`	`11`	`4`	`13345`	`120.6`	`-1.0`	`0.420`	`0`	`0`	`0`	`0.000`
8	`9`		B	`5`	`2`	`13345`	`◊`	[SM7]A:1	-x+1/2,y-1/2,-z+1/4	`5_545`	`8`	`1`	`605`	`62.7`	`0.1`	`0.524`	`1`	`0`	`0`	`0.000`
9	`10`		[SM7]A:1	`2`	`1`	`605`	`◊`	A	-y+1,-x+1,-z+1/2	`8_665`	`1`	`1`	`13232`	`18.6`	`-0.0`	`0.577`	`0`	`0`	`0`	`0.000`

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