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PISA Interface List.

Session Map (id=241-72-02G)

Interfaces in PDB 3r7q crystal.
Space symmetry group: C 1 2 1. Resolution: 2.50 Å

STRUCTURE-BASED DESIGN OF THIENOBENZOXEPIN INHIBITORS OF PI3- KINASE

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	`56`	`17`	`37326`	`◊`	A	-x+1,y,-z+1	`2_656`	`55`	`17`	`37326`	`626.0`	`-0.5`	`0.671`	`8`	`0`	`0`	`0.000`
`2`		A	`60`	`17`	`37326`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`51`	`18`	`37326`	`491.2`	`-4.1`	`0.311`	`3`	`0`	`0`	`0.000`
`3`		[FAV]A:1	`23`	`1`	`515`	`f`	A	x,y,z	`1_555`	`47`	`18`	`37326`	`364.6`	`-1.1`	`0.263`	`2`	`0`	`0`	`0.100`
`4`		A	`42`	`16`	`37326`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`34`	`12`	`37326`	`314.2`	`-2.6`	`0.403`	`2`	`2`	`0`	`0.000`
`5`		A	`34`	`13`	`37326`	`x`	A	x,y-1,z	`1_545`	`22`	`8`	`37326`	`291.0`	`-4.8`	`0.067`	`1`	`1`	`0`	`0.000`
`6`		A	`27`	`8`	`37326`	`◊`	A	-x+1,y,-z	`2_655`	`27`	`8`	`37326`	`268.8`	`-3.2`	`0.244`	`2`	`2`	`0`	`0.000`
`7`		A	`34`	`13`	`37326`	`x`	A	x-1/2,y+1/2,z	`3_455`	`34`	`12`	`37326`	`251.2`	`3.1`	`0.882`	`2`	`2`	`0`	`0.000`

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