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PISA Interface List.

Session Map (id=251-H6-430)

Interfaces in PDB 3nk8 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.15 Å

TRYPSIN IN COMPLEX WITH FLUORINE-CONTAINING FRAGMENT

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	`60`	`19`	`9071`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`57`	`18`	`9071`	`539.1`	`-0.5`	`0.640`	`11`	`0`	`0`	`0.000`
`2`		A	`53`	`18`	`9071`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`55`	`19`	`9071`	`459.1`	`-1.3`	`0.562`	`6`	`0`	`0`	`0.000`
`3`		[JKZ]A:1	`14`	`1`	`336`	`f`	A	x,y,z	`1_555`	`38`	`16`	`9071`	`213.5`	`1.8`	`0.430`	`6`	`0`	`0`	`0.007`
`4`		A	`17`	`6`	`9071`	`x`	A	-x+1/2,-y+1,z-1/2	`2_564`	`18`	`10`	`9071`	`133.0`	`0.6`	`0.590`	`3`	`0`	`0`	`0.000`
`5`		[DMS]A:301	`4`	`1`	`213`	`◊`	A	x,y,z	`1_555`	`19`	`7`	`9071`	`110.7`	`2.2`	`0.493`	`0`	`0`	`0`	`0.000`
`6`		[DMS]A:305	`4`	`1`	`212`	`◊`	A	-x+1,y-1/2,-z+1/2	`3_645`	`14`	`7`	`9071`	`106.0`	`1.8`	`0.421`	`0`	`0`	`0`	`0.000`
`7`		[DMS]A:303	`4`	`1`	`211`	`f`	A	x,y,z	`1_555`	`20`	`9`	`9071`	`98.6`	`1.0`	`0.396`	`2`	`0`	`0`	`0.000`
`8`		[DMS]A:302	`4`	`1`	`213`	`◊`	A	x,y,z	`1_555`	`10`	`4`	`9071`	`84.5`	`1.0`	`0.454`	`0`	`0`	`0`	`0.000`
`9`		A	`11`	`4`	`9071`	`◊`	[DMS]A:303	x-1/2,-y+1/2,-z+1	`4_456`	`4`	`1`	`211`	`75.0`	`2.7`	`0.503`	`0`	`0`	`0`	`0.000`
`10`		[DMS]A:302	`3`	`1`	`213`	`◊`	A	x-1/2,-y+1/2,-z+1	`4_456`	`4`	`1`	`9071`	`49.2`	`0.8`	`0.207`	`0`	`0`	`0`	`0.000`
`11`		[CA]A:501	`1`	`1`	`85`	`f`	A	x,y,z	`1_555`	`7`	`5`	`9071`	`41.3`	`-11.8`	`0.000`	`0`	`0`	`0`	`0.098`
`12`		[DMS]A:305	`3`	`1`	`212`	`f`	A	x,y,z	`1_555`	`5`	`2`	`9071`	`41.1`	`1.1`	`0.379`	`0`	`0`	`0`	`0.000`
`13`		[DMS]A:305	`3`	`1`	`212`	`◊`	[DMS]A:301	x,y,z	`1_555`	`3`	`1`	`213`	`34.4`	`1.8`	`0.203`	`0`	`0`	`0`	`0.000`
`14`		[DMS]A:301	`2`	`1`	`213`	`f`	A	-x+1,y-1/2,-z+1/2	`3_645`	`4`	`3`	`9071`	`32.0`	`0.9`	`0.616`	`1`	`0`	`0`	`0.000`
`15`		[JKZ]A:1	`1`	`1`	`336`	`◊`	A	-x+1,y-1/2,-z+1/2	`3_645`	`4`	`1`	`9071`	`24.0`	`0.0`	`0.451`	`0`	`0`	`0`	`0.000`
`16`		[CA]A:501	`1`	`1`	`85`	`f`	[DMS]A:303	x,y,z	`1_555`	`2`	`1`	`211`	`5.8`	`-1.0`	`0.000`	`0`	`0`	`0`	`0.008`
`17`		[DMS]A:302	`1`	`1`	`213`	`f`	A	-x+1,y-1/2,-z+1/2	`3_645`	`1`	`1`	`9071`	`2.1`	`0.0`	`0.319`	`0`	`0`	`0`	`0.000`

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