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Interfaces in PDB 2vij crystal.
Space symmetry group: P 21 21 21. Resolution: 1.60 Å

HUMAN BACE-1 IN COMPLEX WITH 3-(1,1-DIOXIDOTETRAHYDRO-2H-1, 2-THIAZIN-2-YL)-5-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-( PHENYLMETHYL)-3-(1,2,3,4-TETRAHYDRO-1-NAPHTHALENYLAMINO) PROPYL)BENZAMIDE

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`		[C44]A:3000	`42`	`1`	`827`	`f`	A	x,y,z	`1_555`	`83`	`31`	`16167`	`600.3`	`-6.3`	`0.639`	`11`	`0`	`0`	`0.064`
`2`		A	`46`	`13`	`16167`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`54`	`17`	`16167`	`459.0`	`-1.9`	`0.355`	`5`	`5`	`0`	`0.000`
`3`		[C44]A:3001	`36`	`1`	`796`	`f`	A	x,y,z	`1_555`	`48`	`14`	`16167`	`356.5`	`-4.6`	`0.606`	`4`	`0`	`0`	`0.036`
`4`		A	`27`	`10`	`16167`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`40`	`12`	`16167`	`347.3`	`-3.6`	`0.124`	`5`	`0`	`0`	`0.000`
`5`		A	`28`	`7`	`16167`	`x`	A	x-1/2,-y-1/2,-z+1	`4_446`	`23`	`7`	`16167`	`225.9`	`-1.2`	`0.431`	`2`	`0`	`0`	`0.000`
`6`		A	`31`	`12`	`16167`	`x`	A	-x+3/2,-y,z-1/2	`2_654`	`23`	`6`	`16167`	`194.7`	`0.2`	`0.619`	`1`	`1`	`0`	`0.000`
`7`		A	`24`	`10`	`16167`	`◊`	[C44]A:3001	-x+1/2,-y,z-1/2	`2_554`	`23`	`1`	`796`	`185.4`	`-2.2`	`0.562`	`0`	`0`	`0`	`0.000`
`8`		A	`22`	`8`	`16167`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`21`	`10`	`16167`	`180.0`	`-1.0`	`0.353`	`3`	`0`	`0`	`0.000`
`9`		[C44]A:3001	`2`	`1`	`796`	`◊`	A	x-1/2,-y-1/2,-z+1	`4_446`	`5`	`2`	`16167`	`36.3`	`-0.4`	`0.501`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe