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PISA Interface List.

Session Map (id=439-E1-56I)

Interfaces in PDB 4j71 crystal.
Space symmetry group: P 1. Resolution: 2.31 Å

CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH INHIBITOR 1R

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`		B	`113`	`29`	`17065`	`◊`	A	x,y,z	`1_555`	`111`	`28`	`17007`	`913.5`	`-9.0`	`0.294`	`6`	`5`	`0`	`0.014`
2	`2`		B	`47`	`17`	`17065`	`◊`	A	x-1,y,z	`1_455`	`54`	`20`	`17007`	`528.0`	`3.8`	`0.901`	`8`	`8`	`0`	`0.000`
3	`3`		B	`66`	`18`	`17065`	`◊`	A	x,y-1,z	`1_545`	`50`	`13`	`17007`	`521.4`	`-2.8`	`0.503`	`4`	`0`	`0`	`0.000`
	`4`		A	`60`	`19`	`17007`	`◊`	B	x,y,z-1	`1_554`	`49`	`12`	`17065`	`468.5`	`-2.6`	`0.496`	`3`	`0`	`0`	`0.000`
	*Average:*													`494.9`	`-2.7`	`0.500`	`4`	`0`	`0`	`0.000`
4	`5`		[1JX]B:501	`12`	`1`	`318`	`f`	B	x,y,z	`1_555`	`32`	`14`	`17065`	`210.5`	`-4.2`	`0.379`	`1`	`0`	`0`	`0.020`
	`6`		[1JX]A:501	`12`	`1`	`321`	`f`	A	x,y,z	`1_555`	`30`	`14`	`17007`	`209.3`	`-4.0`	`0.375`	`1`	`0`	`0`	`0.020`
	*Average:*													`209.9`	`-4.1`	`0.377`	`1`	`0`	`0`	`0.020`
5	`7`		[SO4]A:503	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`16`	`6`	`17007`	`101.4`	`-14.9`	`0.719`	`2`	`0`	`0`	`0.031`
6	`8`		[SO4]B:502	`5`	`1`	`187`	`f`	B	x,y,z	`1_555`	`11`	`6`	`17065`	`97.5`	`-15.1`	`0.885`	`9`	`0`	`0`	`0.080`
7	`9`		[SO4]A:502	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`11`	`6`	`17007`	`96.3`	`-14.6`	`0.863`	`7`	`0`	`0`	`0.035`
8	`10`		[CL]A:504	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`15`	`7`	`17007`	`73.0`	`-11.0`	`0.000`	`0`	`0`	`0`	`0.021`
9	`11`		[SO4]A:503	`4`	`1`	`186`	`◊`	B	x,y,z-1	`1_554`	`8`	`3`	`17065`	`42.5`	`-5.9`	`0.585`	`0`	`0`	`0`	`0.000`
10	`12`		[CL]A:504	`1`	`1`	`125`	`f`	[SO4]A:503	x,y,z	`1_555`	`1`	`1`	`186`	`10.3`	`-2.3`	`0.000`	`0`	`0`	`0`	`0.004`
11	`13`		[CL]A:504	`1`	`1`	`125`	`◊`	B	x,y,z-1	`1_554`	`1`	`1`	`17065`	`5.2`	`-0.6`	`0.000`	`0`	`0`	`0`	`0.000`

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