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Interfaces in PDB 3rz1 crystal.
Space symmetry group: P 1 21 1. Resolution: 1.51 Å

FLUOROALKYL AND ALKYL CHAINS HAVE SIMILAR HYDROPHOBICITIES IN BINDING TO THE HYDROPHOBIC WALL OF CARBONIC ANHYDRASE

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	`48`	`17`	`11682`	`x`	B	x-1,y,z	`1_455`	`36`	`9`	`11682`	`383.8`	`-0.0`	`0.611`	`5`	`3`	`0`	`0.000`
`2`		B	`35`	`11`	`11682`	`x`	B	-x,y-1/2,-z	`2_545`	`33`	`11`	`11682`	`343.4`	`0.6`	`0.623`	`1`	`1`	`0`	`0.000`
`3`		B	`37`	`12`	`11682`	`x`	B	-x+1,y-1/2,-z+1	`2_646`	`40`	`16`	`11682`	`341.0`	`2.4`	`0.797`	`2`	`0`	`0`	`0.000`
`4`		[RZ1]B:1	`23`	`1`	`568`	`f`	B	x,y,z	`1_555`	`36`	`18`	`11682`	`308.1`	`2.9`	`0.228`	`3`	`0`	`0`	`0.000`
`5`		B	`38`	`11`	`11682`	`x`	B	x,y-1,z	`1_545`	`32`	`10`	`11682`	`299.0`	`0.3`	`0.636`	`3`	`0`	`0`	`0.000`
`6`		B	`22`	`9`	`11682`	`x`	B	-x+1,y-1/2,-z	`2_645`	`33`	`12`	`11682`	`244.0`	`-1.7`	`0.240`	`2`	`0`	`0`	`0.000`
`7`		[DMS]B:263	`4`	`1`	`215`	`f`	B	x,y,z	`1_555`	`19`	`6`	`11682`	`116.7`	`1.9`	`0.451`	`1`	`0`	`0`	`0.000`
`8`		[ZN]B:262	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`6`	`4`	`11682`	`36.5`	`-26.1`	`0.000`	`0`	`0`	`0`	`0.073`
`9`		[RZ1]B:1	`3`	`1`	`568`	`f`	[ZN]B:262	x,y,z	`1_555`	`1`	`1`	`98`	`31.1`	`-12.6`	`0.000`	`0`	`0`	`0`	`0.035`

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

Protein Data Bank
in Europe