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PISA Interface List.

Session Map (id=833-63-D49)

Interfaces in PDB 3kwb crystal.
Space symmetry group: P 1 21 1. Resolution: 2.02 Å

STRUCTURE OF CATK COVALENTLY BOUND TO A DIOXO-TRIAZINE INHIBITOR

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		X	`51`	`17`	`9829`	`x`	X	x-1,y,z	`1_455`	`62`	`18`	`9829`	`510.2`	`-0.3`	`0.505`	`7`	`1`	`0`	`0.000`
2	`2`		Y	`61`	`18`	`9811`	`x`	Y	x-1,y,z	`1_455`	`48`	`16`	`9811`	`495.9`	`2.0`	`0.671`	`3`	`1`	`0`	`0.000`
3	`3`		Y	`49`	`15`	`9811`	`◊`	X	x,y,z	`1_555`	`45`	`12`	`9829`	`411.4`	`-0.5`	`0.461`	`5`	`0`	`0`	`0.000`
4	`4`		[ORH]Y:2216	`27`	`1`	`629`	`cf`	Y	x,y,z	`1_555`	`46`	`19`	`9811`	`354.7`	`2.2`	`0.263`	`2`	`0`	`0`	`0.000`
	`5`		[ORH]X:1216	`27`	`1`	`628`	`cf`	X	x,y,z	`1_555`	`48`	`19`	`9829`	`349.0`	`2.2`	`0.276`	`2`	`0`	`0`	`0.000`
	*Average:*													`351.9`	`2.2`	`0.269`	`2`	`0`	`0`	`0.000`
5	`6`		X	`33`	`11`	`9829`	`◊`	Y	-x,y-1/2,-z	`2_545`	`35`	`11`	`9811`	`334.5`	`-5.9`	`0.050`	`0`	`0`	`0`	`0.000`
6	`7`		X	`24`	`8`	`9829`	`◊`	Y	-x+1,y-1/2,-z+1	`2_646`	`36`	`10`	`9811`	`261.1`	`0.5`	`0.589`	`1`	`0`	`0`	`0.000`
	`8`		X	`17`	`7`	`9829`	`◊`	Y	-x,y-1/2,-z+1	`2_546`	`19`	`7`	`9811`	`164.6`	`2.0`	`0.773`	`0`	`0`	`0`	`0.000`
	*Average:*													`212.8`	`1.3`	`0.681`	`1`	`0`	`0`	`0.000`
7	`9`		X	`22`	`8`	`9829`	`x`	X	-x+1,y-1/2,-z+1	`2_646`	`20`	`5`	`9829`	`162.6`	`-1.7`	`0.201`	`0`	`0`	`0`	`0.000`
8	`10`		Y	`18`	`6`	`9811`	`x`	Y	-x,y-1/2,-z	`2_545`	`19`	`8`	`9811`	`148.8`	`-0.9`	`0.391`	`0`	`0`	`0`	`0.000`
9	`11`		X	`12`	`8`	`9829`	`x`	X	-x,y-1/2,-z+1	`2_546`	`10`	`4`	`9829`	`81.8`	`2.2`	`0.814`	`0`	`0`	`0`	`0.000`
10	`12`		X	`8`	`3`	`9829`	`◊`	Y	x,y-1,z	`1_545`	`6`	`2`	`9811`	`67.3`	`1.7`	`0.809`	`0`	`0`	`0`	`0.000`
11	`13`		Y	`3`	`1`	`9811`	`◊`	[ORH]Y:2216	x-1,y,z	`1_455`	`3`	`1`	`629`	`18.2`	`-0.4`	`0.256`	`0`	`0`	`0`	`0.000`
12	`14`		[ORH]X:1216	`1`	`1`	`628`	`◊`	X	x-1,y,z	`1_455`	`1`	`1`	`9829`	`4.0`	`0.1`	`0.407`	`0`	`0`	`0`	`0.000`

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