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PISA Interface List.

Session Map (id=767-A5-4NA)

Interfaces in PDB 3omp crystal.
Space symmetry group: P 31. Resolution: 2.05 Å

FRAGMENT-BASED DESIGN OF NOVEL ESTROGEN RECEPTOR LIGANDS

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	`145`	`39`	`11440`	`◊`	A	x,y,z	`1_555`	`151`	`40`	`11488`	`1419.0`	`-16.4`	`0.348`	`10`	`0`	`0`	`0.714`
2	`2`		C	`46`	`9`	`1326`	`◊`	A	x,y,z	`1_555`	`60`	`17`	`11488`	`544.2`	`-8.2`	`0.262`	`6`	`3`	`0`	`0.727`
	`3`		D	`42`	`9`	`1331`	`◊`	B	x,y,z	`1_555`	`52`	`15`	`11440`	`503.5`	`-8.0`	`0.252`	`5`	`3`	`0`	`0.727`
	*Average:*													`523.8`	`-8.1`	`0.257`	`6`	`3`	`0`	`0.727`
3	`4`		A	`36`	`9`	`11488`	`◊`	B	-y+1,x-y+1,z+1/3	`2_665`	`36`	`10`	`11440`	`335.0`	`-2.3`	`0.609`	`3`	`1`	`0`	`0.000`
	`5`		A	`38`	`10`	`11488`	`◊`	B	-y,x-y,z+1/3	`2_555`	`34`	`9`	`11440`	`323.6`	`-2.3`	`0.609`	`3`	`1`	`0`	`0.000`
	*Average:*													`329.3`	`-2.3`	`0.609`	`3`	`1`	`0`	`0.000`
4	`6`		B	`23`	`6`	`11440`	`x`	B	-y,x-y,z+1/3	`2_555`	`31`	`12`	`11440`	`304.5`	`-6.5`	`0.082`	`2`	`0`	`0`	`0.000`
	`7`		A	`25`	`10`	`11488`	`x`	A	-y+1,x-y+1,z+1/3	`2_665`	`19`	`5`	`11488`	`236.4`	`-4.5`	`0.136`	`1`	`0`	`0`	`0.000`
	*Average:*													`270.4`	`-5.5`	`0.109`	`2`	`0`	`0`	`0.000`
5	`8`		[W14]B:1	`17`	`1`	`385`	`f`	B	x,y,z	`1_555`	`42`	`19`	`11440`	`274.7`	`-3.1`	`0.453`	`2`	`0`	`0`	`0.286`
	`9`		[W14]A:1	`17`	`1`	`383`	`f`	A	x,y,z	`1_555`	`42`	`19`	`11488`	`273.3`	`-3.0`	`0.423`	`3`	`0`	`0`	`0.286`
	*Average:*													`274.0`	`-3.1`	`0.438`	`3`	`0`	`0`	`0.286`
6	`10`		D	`19`	`5`	`1331`	`◊`	B	-y,x-y,z+1/3	`2_555`	`20`	`7`	`11440`	`183.9`	`0.5`	`0.766`	`2`	`4`	`0`	`0.000`
	`11`		A	`17`	`6`	`11488`	`◊`	C	-y+1,x-y+1,z+1/3	`2_665`	`19`	`5`	`1326`	`175.9`	`-0.3`	`0.670`	`2`	`4`	`0`	`0.000`
	*Average:*													`179.9`	`0.1`	`0.718`	`2`	`4`	`0`	`0.000`

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