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PISA Interface List.

Session Map (id=771-EF-6GP)

Interfaces in PDB 3wqs crystal.
Space symmetry group: P 31 2 1. Resolution: 2.35 Å

CRYSTAL STRUCTURE OF PFDXR COMPLEXED WITH INHIBITOR-126

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`		B	`204`	`52`	`17890`	`◊`	B	x-y,-y,-z-1/3	`5_554`	`204`	`52`	`17890`	`1878.1`	`-20.0`	`0.062`	`35`	`6`	`0`	`0.353`
`2`		[NDP]B:501	`46`	`1`	`893`	`f`	B	x,y,z	`1_555`	`88`	`27`	`17890`	`623.0`	`-5.7`	`0.312`	`19`	`0`	`0`	`0.274`
`3`		B	`45`	`13`	`17890`	`x`	B	y,x-1,-z	`4_545`	`50`	`14`	`17890`	`423.9`	`1.3`	`0.780`	`9`	`0`	`0`	`0.000`
`4`		[KBK]B:503	`20`	`1`	`456`	`f`	B	x,y,z	`1_555`	`45`	`22`	`17890`	`309.3`	`-2.3`	`0.302`	`11`	`0`	`0`	`0.139`
`5`		B	`12`	`5`	`17890`	`x`	B	-x+1,-x+y,-z+1/3	`6_655`	`13`	`5`	`17890`	`108.5`	`0.5`	`0.691`	`0`	`0`	`0`	`0.000`
`6`		[KBK]B:503	`6`	`1`	`456`	`f`	[NDP]B:501	x,y,z	`1_555`	`6`	`1`	`893`	`43.1`	`-1.4`	`0.329`	`0`	`0`	`0`	`0.028`
`7`		[MG]B:502	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`8`	`7`	`17890`	`33.0`	`-5.7`	`0.000`	`0`	`0`	`0`	`0.111`
`8`		[KBK]B:503	`5`	`1`	`456`	`f`	[MG]B:502	x,y,z	`1_555`	`1`	`1`	`98`	`29.5`	`-3.7`	`0.000`	`0`	`0`	`0`	`0.072`
`9`		[MG]B:502	`1`	`1`	`98`	`f`	[NDP]B:501	x,y,z	`1_555`	`2`	`1`	`893`	`12.2`	`-1.2`	`0.000`	`0`	`0`	`0`	`0.023`
`10`		B	`1`	`1`	`17890`	`x`	B	-y,x-y-1,z+1/3	`2_545`	`2`	`1`	`17890`	`7.1`	`0.0`	`0.584`	`0`	`0`	`0`	`0.000`
`11`		B	`2`	`2`	`17890`	`◊`	B	-x,-x+y,-z+1/3	`6_555`	`2`	`2`	`17890`	`4.1`	`0.0`	`0.640`	`0`	`0`	`0`	`0.000`

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