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PISA Interface List.

Session Map (id=735-6B-JKF)

Interfaces in PDB 2weg crystal.
Space symmetry group: P 1 21 1. Resolution: 1.10 Å

THERMODYNAMIC OPTIMISATION OF CARBONIC ANHYDRASE FRAGMENT INHIBITORS

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	`52`	`16`	`11712`	`x`	A	x-1,y,z	`1_455`	`46`	`9`	`11712`	`442.9`	`-1.0`	`0.547`	`3`	`3`	`0`	`0.000`
`2`		A	`34`	`10`	`11712`	`x`	A	-x,y-1/2,-z	`2_545`	`32`	`10`	`11712`	`339.4`	`0.9`	`0.629`	`3`	`1`	`0`	`0.000`
`3`		A	`34`	`10`	`11712`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`39`	`16`	`11712`	`327.0`	`-0.8`	`0.536`	`3`	`0`	`0`	`0.000`
`4`		A	`32`	`11`	`11712`	`x`	A	-x+1,y-1/2,-z	`2_645`	`39`	`13`	`11712`	`312.7`	`-0.5`	`0.358`	`2`	`1`	`0`	`0.000`
`5`		A	`34`	`10`	`11712`	`x`	A	x,y-1,z	`1_545`	`30`	`9`	`11712`	`285.4`	`-1.3`	`0.435`	`1`	`0`	`0`	`0.000`
`6`		[FBV]A:1263	`11`	`1`	`301`	`f`	A	x,y,z	`1_555`	`29`	`15`	`11712`	`172.9`	`4.0`	`0.340`	`7`	`0`	`0`	`0.000`
`7`		[GOL]A:1264	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`17`	`10`	`11712`	`115.7`	`0.1`	`0.587`	`4`	`0`	`0`	`0.004`
`8`		[GOL]A:1264	`4`	`1`	`218`	`f`	[FBV]A:1263	x,y,z	`1_555`	`8`	`1`	`301`	`43.8`	`0.7`	`0.039`	`0`	`0`	`0`	`0.000`
`9`		[ZN]A:1262	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`7`	`5`	`11712`	`32.6`	`-23.2`	`0.000`	`0`	`0`	`0`	`0.059`
`10`		[FBV]A:1263	`3`	`1`	`301`	`f`	[ZN]A:1262	x,y,z	`1_555`	`1`	`1`	`98`	`28.2`	`-11.6`	`0.000`	`0`	`0`	`0`	`0.030`
`11`		[GOL]A:1264	`2`	`1`	`218`	`f`	[ZN]A:1262	x,y,z	`1_555`	`1`	`1`	`98`	`11.0`	`-4.1`	`0.000`	`0`	`0`	`0`	`0.010`

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