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PISA Interface List.

Session Map (id=124-08-N5B)

Interfaces in PDB 2pog crystal.
Space symmetry group: C 2 2 21. Resolution: 1.84 Å

BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR B AGONISTS (SERBAS). PART 2: STRUCTURE ACTIVITY RELATIONSHIP STUDIES ON THE BENZOPYRAN SCAFFOLD.

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	`156`	`38`	`10734`	`◊`	A	x,y,z	`1_555`	`151`	`35`	`12066`	`1470.9`	`-14.7`	`0.339`	`5`	`1`	`0`	`0.986`
2	`2`		A	`84`	`21`	`12066`	`◊`	A	x,-y+1,-z+1	`4_566`	`84`	`21`	`12066`	`801.3`	`-1.7`	`0.791`	`16`	`8`	`0`	`0.000`
3	`3`		A	`44`	`14`	`12066`	`◊`	B	x-1/2,y+1/2,z	`5_455`	`47`	`17`	`10734`	`478.8`	`-4.7`	`0.366`	`4`	`0`	`0`	`0.000`
4	`4`		[WST]B:301	`21`	`1`	`459`	`f`	B	x,y,z	`1_555`	`48`	`20`	`10734`	`338.3`	`1.6`	`0.510`	`4`	`0`	`0`	`0.100`
	`5`		[WST]A:201	`21`	`1`	`459`	`f`	A	x,y,z	`1_555`	`50`	`20`	`12066`	`336.7`	`1.7`	`0.500`	`4`	`0`	`0`	`0.100`
	*Average:*													`337.5`	`1.7`	`0.505`	`4`	`0`	`0`	`0.100`
5	`6`		B	`29`	`6`	`10734`	`◊`	A	-x,y,-z+1/2	`3_555`	`39`	`14`	`12066`	`336.6`	`-2.5`	`0.389`	`1`	`0`	`0`	`0.000`
6	`7`		A	`19`	`5`	`12066`	`◊`	A	-x,y,-z+1/2	`3_555`	`19`	`5`	`12066`	`145.9`	`-0.8`	`0.613`	`0`	`0`	`0`	`0.000`
7	`8`		A	`4`	`2`	`12066`	`◊`	B	x-1/2,-y+1/2,-z+1	`8_456`	`10`	`5`	`10734`	`84.6`	`-0.9`	`0.239`	`0`	`0`	`0`	`0.000`
8	`9`		B	`9`	`3`	`10734`	`◊`	B	-x,y,-z+1/2	`3_555`	`9`	`3`	`10734`	`64.1`	`1.0`	`0.851`	`0`	`0`	`0`	`0.000`
9	`10`		B	`9`	`2`	`10734`	`◊`	A	x-1/2,y-1/2,z	`5_445`	`10`	`3`	`12066`	`62.5`	`-0.1`	`0.646`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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