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PISA Interface List.

Session Map (id=119-E6-HPH)

Interfaces in PDB 4bhz crystal.
Space symmetry group: I 2 2 2. Resolution: 2.85 Å

SCAFFOLD FOCUSED VIRTUAL SCREENING: PROSPECTIVE APPLICATION TO THE DISCOVERY OF TTK INHIBITOR

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	`49`	`12`	`12514`	`x`	A	x-1/2,-y-1/2,-z+1/2	`8_445`	`63`	`16`	`12514`	`523.8`	`-3.8`	`0.506`	`6`	`2`	`0`	`0.000`
`2`		A	`39`	`14`	`12514`	`◊`	A	-x,y,-z	`3_555`	`39`	`14`	`12514`	`399.1`	`-9.0`	`0.055`	`0`	`0`	`0`	`0.000`
`3`		[7PE]A:1795	`16`	`1`	`445`	`f`	A	x,y,z	`1_555`	`45`	`18`	`12514`	`305.2`	`-2.0`	`0.515`	`2`	`0`	`0`	`0.029`
`4`		A	`23`	`10`	`12514`	`◊`	A	-x,-y-1,z	`2_545`	`23`	`10`	`12514`	`231.4`	`-2.9`	`0.355`	`4`	`0`	`0`	`0.000`
`5`		[Z0B]A:1797	`13`	`1`	`339`	`f`	A	x,y,z	`1_555`	`33`	`14`	`12514`	`223.5`	`-6.8`	`0.398`	`1`	`0`	`0`	`0.072`
`6`		[7PE]A:1796	`10`	`1`	`337`	`f`	A	x,y,z	`1_555`	`27`	`8`	`12514`	`207.9`	`-2.8`	`0.736`	`2`	`0`	`0`	`0.037`
`7`		[EDO]A:1798	`4`	`1`	`185`	`f`	A	x,y,z	`1_555`	`11`	`7`	`12514`	`107.2`	`3.2`	`0.463`	`1`	`0`	`0`	`0.000`
`8`		[Z0B]A:1797	`3`	`1`	`339`	`f`	[7PE]A:1795	x,y,z	`1_555`	`4`	`1`	`445`	`38.0`	`1.0`	`0.850`	`0`	`0`	`0`	`0.000`
`9`		[EDO]A:1798	`3`	`1`	`185`	`f`	[Z0B]A:1797	x,y,z	`1_555`	`3`	`1`	`339`	`28.7`	`0.0`	`0.758`	`0`	`0`	`0`	`0.000`
`10`		[7PE]A:1796	`1`	`1`	`337`	`◊`	A	x-1/2,-y-1/2,-z+1/2	`8_445`	`1`	`1`	`12514`	`8.2`	`0.2`	`0.801`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe