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PISA Interface List.

Session Map (id=436-03-M4P)

Interfaces in PDB 6vxy crystal.
Space symmetry group: P 21 21 21. Resolution: 1.40 Å

TRIAZOLE BRIDGED SFTI1 INHIBITOR IN COMPLEX WITH BETA-TRYPSIN

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`		C	`57`	`12`	`1465`	`◊`	A	x,y,z	`1_555`	`92`	`31`	`9140`	`665.5`	`-6.0`	`0.588`	`10`	`2`	`0`	`0.478`
`2`		A	`45`	`14`	`9140`	`x`	A	-x,y-1/2,-z-1/2	`3_544`	`44`	`15`	`9140`	`364.7`	`-1.7`	`0.497`	`1`	`0`	`0`	`0.000`
`3`		A	`36`	`12`	`9140`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`27`	`12`	`9140`	`271.7`	`-3.0`	`0.264`	`0`	`0`	`0`	`0.000`
`4`		A	`21`	`10`	`9140`	`x`	A	x-1,y,z	`1_455`	`18`	`6`	`9140`	`154.7`	`0.9`	`0.708`	`0`	`0`	`0`	`0.000`
`5`		[WMH]C:101	`6`	`1`	`224`	`cf`	C	x,y,z	`1_555`	`13`	`6`	`1465`	`108.3`	`0.8`	`0.511`	`0`	`0`	`0`	`0.000`
`6`		A	`12`	`4`	`9140`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`11`	`6`	`9140`	`68.9`	`-0.4`	`0.528`	`0`	`0`	`0`	`0.000`
`7`		C	`6`	`2`	`1465`	`◊`	A	-x-1/2,-y,z-1/2	`2_454`	`11`	`4`	`9140`	`66.1`	`-1.1`	`0.469`	`0`	`0`	`0`	`0.000`
`8`		C	`7`	`3`	`1465`	`◊`	A	-x,y-1/2,-z-1/2	`3_544`	`8`	`5`	`9140`	`61.3`	`-1.3`	`0.439`	`0`	`0`	`0`	`0.000`
`9`		[WMH]C:101	`4`	`1`	`224`	`◊`	A	x,y,z	`1_555`	`9`	`5`	`9140`	`61.2`	`0.1`	`0.359`	`0`	`0`	`0`	`0.000`
`10`		A	`4`	`3`	`9140`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`6`	`3`	`9140`	`45.0`	`0.9`	`0.626`	`0`	`0`	`0`	`0.000`
`11`		[CA]A:301	`1`	`1`	`85`	`f`	A	x,y,z	`1_555`	`6`	`5`	`9140`	`43.2`	`-12.6`	`0.000`	`0`	`0`	`0`	`0.561`

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