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PISA Interface List.

Session Map (id=332-9I-1E7)

Interfaces in PDB 2weh crystal.
Space symmetry group: P 1 21 1. Resolution: 2.10 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	`56`	`20`	`11800`	`x`	A	x-1,y,z	`1_455`	`48`	`10`	`11800`	`451.7`	`0.3`	`0.674`	`3`	`3`	`0`	`0.000`
`2`		A	`40`	`12`	`11800`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`40`	`16`	`11800`	`359.4`	`0.3`	`0.661`	`3`	`0`	`0`	`0.000`
`3`		A	`33`	`10`	`11800`	`x`	A	-x,y-1/2,-z	`2_545`	`33`	`10`	`11800`	`326.5`	`-0.1`	`0.574`	`1`	`1`	`0`	`0.000`
`4`		A	`30`	`11`	`11800`	`x`	A	-x+1,y-1/2,-z	`2_645`	`38`	`13`	`11800`	`308.5`	`-0.9`	`0.326`	`1`	`1`	`0`	`0.000`
`5`		A	`36`	`10`	`11800`	`x`	A	x,y-1,z	`1_545`	`34`	`10`	`11800`	`305.9`	`-0.7`	`0.513`	`3`	`0`	`0`	`0.000`
`6`		[FB1]A:1263	`11`	`1`	`311`	`f`	A	x,y,z	`1_555`	`27`	`13`	`11800`	`177.4`	`-1.8`	`0.316`	`3`	`0`	`0`	`0.007`
`7`		[GOL]A:1264	`6`	`1`	`220`	`f`	A	x,y,z	`1_555`	`19`	`10`	`11800`	`120.8`	`0.1`	`0.607`	`4`	`0`	`0`	`0.004`
`8`		[GOL]A:1264	`4`	`1`	`220`	`f`	[FB1]A:1263	x,y,z	`1_555`	`4`	`1`	`311`	`42.9`	`0.7`	`0.379`	`0`	`0`	`0`	`0.000`
`9`		[ZN]A:1262	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`6`	`5`	`11800`	`32.5`	`-23.4`	`0.000`	`0`	`0`	`0`	`0.055`
`10`		[FB1]A:1263	`4`	`1`	`311`	`cf`	[ZN]A:1262	x,y,z	`1_555`	`1`	`1`	`98`	`28.5`	`-11.9`	`0.000`	`0`	`0`	`0`	`0.028`
`11`		[GOL]A:1264	`2`	`1`	`220`	`f`	[ZN]A:1262	x,y,z	`1_555`	`1`	`1`	`98`	`9.7`	`-3.6`	`0.000`	`0`	`0`	`0`	`0.008`

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