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Interfaces in PDB 3ite crystal.
Space symmetry group: P 1. Resolution: 2.00 Å

THE THIRD ADENYLATION DOMAIN OF THE FUNGAL SIDN NON- RIBOSOMAL PEPTIDE SYNTHETASE

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	`93`	`28`	`22440`	`◊`	A	x,y,z	`1_555`	`103`	`35`	`16518`	`915.9`	`-3.4`	`0.508`	`11`	`0`	`0`	`0.000`
`2`		B	`58`	`23`	`22440`	`◊`	A	x,y-1,z	`1_545`	`59`	`20`	`16518`	`556.6`	`-2.9`	`0.437`	`7`	`0`	`0`	`0.000`
`3`		A	`53`	`18`	`16518`	`◊`	B	x,y,z-1	`1_554`	`55`	`19`	`22440`	`479.2`	`0.8`	`0.738`	`7`	`0`	`0`	`0.000`
`4`		A	`47`	`12`	`16518`	`x`	A	x-1,y,z	`1_455`	`48`	`16`	`16518`	`471.2`	`0.7`	`0.727`	`6`	`6`	`0`	`0.000`
`5`		B	`48`	`16`	`22440`	`x`	B	x-1,y,z	`1_455`	`48`	`14`	`22440`	`462.9`	`0.6`	`0.691`	`6`	`6`	`0`	`0.000`
`6`		[SO4]B:558	`5`	`1`	`186`	`f`	B	x,y,z	`1_555`	`23`	`9`	`22440`	`111.3`	`-18.0`	`0.613`	`5`	`0`	`0`	`0.062`
`7`		[SO4]A:558	`5`	`1`	`184`	`f`	A	x,y,z	`1_555`	`22`	`9`	`16518`	`110.0`	`-17.7`	`0.613`	`5`	`0`	`0`	`0.061`
`8`		A	`7`	`2`	`16518`	`◊`	B	x-1,y,z	`1_455`	`11`	`3`	`22440`	`96.9`	`-0.6`	`0.460`	`0`	`0`	`0`	`0.000`
`9`		A	`10`	`2`	`16518`	`◊`	B	x-1,y+1,z	`1_465`	`7`	`2`	`22440`	`95.6`	`-0.6`	`0.455`	`0`	`0`	`0`	`0.000`
`10`		[CL]B:559	`1`	`1`	`125`	`f`	B	x,y,z	`1_555`	`8`	`6`	`22440`	`64.7`	`-12.5`	`0.000`	`0`	`0`	`0`	`0.038`
`11`		[CL]A:559	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`7`	`5`	`16518`	`64.1`	`-12.5`	`0.000`	`0`	`0`	`0`	`0.039`
`12`		A	`2`	`2`	`16518`	`◊`	B	x-1,y,z-1	`1_454`	`2`	`2`	`22440`	`4.4`	`0.1`	`0.706`	`0`	`0`	`0`	`0.000`
`13`		B	`2`	`1`	`22440`	`x`	B	x,y-1,z-1	`1_544`	`1`	`1`	`22440`	`1.4`	`0.0`	`0.658`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe