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PISA Interface List.

Session Map (id=881-92-9H2)

Interfaces in PDB 4zsr crystal.
Space symmetry group: P 21 21 21. Resolution: 1.65 Å

BACE CRYSTAL STRUCTURE WITH TRICYCLIC AMINOTHIAZINE 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`		B	`79`	`20`	`16816`	`◊`	A	-x+3/2,-y+1,z-1/2	`2_664`	`82`	`22`	`16867`	`703.4`	`-1.8`	`0.577`	`10`	`0`	`0`	`0.000`
2	`2`		B	`50`	`17`	`16816`	`◊`	A	x,y,z	`1_555`	`60`	`22`	`16867`	`490.5`	`-1.7`	`0.497`	`4`	`1`	`0`	`0.000`
	`3`		A	`48`	`17`	`16867`	`◊`	B	x-1,y,z	`1_455`	`59`	`23`	`16816`	`463.9`	`-1.8`	`0.494`	`3`	`1`	`0`	`0.000`
	*Average:*													`477.2`	`-1.7`	`0.495`	`4`	`1`	`0`	`0.000`
3	`4`		[4RY]A:401	`22`	`1`	`537`	`f`	A	x,y,z	`1_555`	`50`	`23`	`16867`	`342.6`	`-7.2`	`0.390`	`4`	`0`	`0`	`0.100`
	`5`		[4RY]B:401	`22`	`1`	`536`	`f`	B	x,y,z	`1_555`	`50`	`22`	`16816`	`334.7`	`-7.2`	`0.407`	`4`	`0`	`0`	`0.100`
	*Average:*													`338.6`	`-7.2`	`0.398`	`4`	`0`	`0`	`0.100`
4	`6`		B	`41`	`11`	`16816`	`◊`	A	-x+1,y-1/2,-z+3/2	`3_646`	`33`	`9`	`16867`	`278.8`	`0.8`	`0.728`	`2`	`3`	`0`	`0.000`
5	`7`		A	`25`	`6`	`16867`	`x`	A	-x+1,y-1/2,-z+3/2	`3_646`	`26`	`10`	`16867`	`247.2`	`-2.0`	`0.360`	`5`	`1`	`0`	`0.000`
6	`8`		A	`7`	`2`	`16867`	`x`	A	-x+1/2,-y+1,z-1/2	`2_564`	`6`	`2`	`16867`	`77.0`	`-2.3`	`0.056`	`0`	`0`	`0`	`0.000`
	`9`		B	`6`	`2`	`16816`	`x`	B	-x+3/2,-y+1,z-1/2	`2_664`	`7`	`2`	`16816`	`73.2`	`-2.2`	`0.068`	`0`	`0`	`0`	`0.000`
	*Average:*													`75.1`	`-2.3`	`0.062`	`0`	`0`	`0`	`0.000`
7	`10`		A	`6`	`3`	`16867`	`◊`	B	x-1/2,-y+1/2,-z+1	`4_456`	`5`	`2`	`16816`	`31.5`	`-0.5`	`0.400`	`0`	`0`	`0`	`0.000`
8	`11`		B	`1`	`1`	`16816`	`x`	B	x-1/2,-y+1/2,-z+1	`4_456`	`1`	`1`	`16816`	`5.1`	`-0.0`	`0.490`	`0`	`0`	`0`	`0.000`

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