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PISA Interface List.

Session Map (id=155-E2-53N)

Interfaces in PDB 3omq crystal.
Space symmetry group: P 31. Resolution: 1.97 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	`140`	`38`	`11477`	`◊`	A	x,y,z	`1_555`	`151`	`39`	`11529`	`1412.8`	`-16.6`	`0.326`	`9`	`0`	`0`	`0.693`
2	`2`		C	`44`	`9`	`1325`	`◊`	A	x,y,z	`1_555`	`60`	`17`	`11529`	`547.9`	`-8.1`	`0.258`	`6`	`2`	`0`	`0.713`
	`3`		D	`41`	`9`	`1336`	`◊`	B	x,y,z	`1_555`	`54`	`15`	`11477`	`503.6`	`-8.2`	`0.232`	`5`	`3`	`0`	`0.713`
	*Average:*													`525.7`	`-8.2`	`0.245`	`6`	`3`	`0`	`0.713`
3	`4`		B	`36`	`10`	`11477`	`◊`	A	-y+1,x-y+1,z+1/3	`2_665`	`34`	`9`	`11529`	`332.4`	`-2.3`	`0.606`	`3`	`1`	`0`	`0.000`
	`5`		B	`35`	`9`	`11477`	`◊`	A	-y,x-y,z+1/3	`2_555`	`36`	`10`	`11529`	`324.9`	`-2.2`	`0.621`	`3`	`1`	`0`	`0.000`
	*Average:*													`328.6`	`-2.2`	`0.614`	`3`	`1`	`0`	`0.000`
4	`6`		B	`32`	`12`	`11477`	`x`	B	-y,x-y,z+1/3	`2_555`	`23`	`6`	`11477`	`303.7`	`-6.4`	`0.092`	`2`	`0`	`0`	`0.000`
	`7`		A	`20`	`5`	`11529`	`x`	A	-y+1,x-y+1,z+1/3	`2_665`	`25`	`10`	`11529`	`235.9`	`-4.7`	`0.137`	`1`	`0`	`0`	`0.000`
	*Average:*													`269.8`	`-5.5`	`0.114`	`2`	`0`	`0`	`0.000`
5	`8`		[W23]B:1	`18`	`1`	`403`	`f`	B	x,y,z	`1_555`	`41`	`18`	`11477`	`287.9`	`-3.1`	`0.399`	`3`	`0`	`0`	`0.307`
	`9`		[W23]A:1	`18`	`1`	`401`	`f`	A	x,y,z	`1_555`	`39`	`19`	`11529`	`286.1`	`-3.0`	`0.384`	`4`	`0`	`0`	`0.307`
	*Average:*													`287.0`	`-3.0`	`0.391`	`4`	`0`	`0`	`0.307`
6	`10`		B	`22`	`8`	`11477`	`◊`	D	-y,x-y,z+1/3	`2_555`	`18`	`5`	`1336`	`188.3`	`1.3`	`0.823`	`2`	`3`	`0`	`0.000`
	`11`		C	`21`	`5`	`1325`	`◊`	A	-y+1,x-y+1,z+1/3	`2_665`	`20`	`8`	`11529`	`179.9`	`-0.2`	`0.692`	`2`	`5`	`0`	`0.000`
	*Average:*													`184.1`	`0.6`	`0.758`	`2`	`4`	`0`	`0.000`

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