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PDBePISA

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PISA Interface List.

Session Map (id=326-HO-PA0)

Interfaces in PDB 4x2n crystal.
Space symmetry group: P 21 21 21. Resolution: 1.80 Å

SELECTION OF FRAGMENTS FOR KINASE INHIBITOR DESIGN: DECORATION IS KEY

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	`84`	`23`	`14520`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`83`	`24`	`14520`	`809.8`	`-6.6`	`0.210`	`16`	`1`	`0`	`0.000`
`2`		A	`34`	`11`	`14520`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`40`	`11`	`14520`	`327.9`	`-0.9`	`0.515`	`4`	`1`	`0`	`0.000`
`3`		A	`30`	`9`	`14520`	`x`	A	x-1,y,z	`1_455`	`36`	`11`	`14520`	`310.2`	`-1.4`	`0.287`	`2`	`0`	`0`	`0.000`
`4`		A	`34`	`12`	`14520`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`36`	`11`	`14520`	`294.6`	`1.6`	`0.623`	`5`	`4`	`0`	`0.000`
`5`		[SO4]A:601	`5`	`1`	`187`	`f`	A	x,y,z	`1_555`	`19`	`8`	`14520`	`112.4`	`-16.6`	`0.664`	`3`	`0`	`0`	`0.100`
`6`		A	`12`	`3`	`14520`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`14`	`6`	`14520`	`109.6`	`-1.0`	`0.353`	`1`	`0`	`0`	`0.000`
`7`		A	`3`	`1`	`14520`	`◊`	[SO4]A:601	x-1,y,z	`1_455`	`4`	`1`	`187`	`23.9`	`-2.5`	`0.831`	`0`	`0`	`0`	`0.000`
`8`		A	`1`	`1`	`14520`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`2`	`1`	`14520`	`4.3`	`-0.1`	`0.431`	`0`	`0`	`0`	`0.000`

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