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PISA Interface List.

Session Map (id=649-02-08O)

Interfaces in PDB 4uve crystal.
Space symmetry group: P 62 2 2. Resolution: 1.99 Å

DISCOVERY OF PYRIMIDINE ISOXAZOLES INHA IN COMPLEX WITH COMPOUND 9

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	`160`	`38`	`12414`	`◊`	A	-x+2,-x+y+1,-z+1/3	`9_765`	`159`	`38`	`12414`	`1490.5`	`-22.8`	`0.065`	`17`	`2`	`0`	`0.465`
`2`		A	`148`	`41`	`12414`	`◊`	A	x,x-y,-z+1/3	`12_555`	`147`	`41`	`12414`	`1458.5`	`-20.7`	`0.096`	`19`	`4`	`0`	`0.458`
`3`		A	`86`	`24`	`12414`	`◊`	A	-x+y+1,y,-z	`11_655`	`87`	`24`	`12414`	`924.3`	`10.1`	`0.995`	`22`	`28`	`0`	`0.000`
`4`		A	`69`	`17`	`12414`	`◊`	A	-x+2,-y+1,z	`4_765`	`69`	`17`	`12414`	`640.6`	`-5.8`	`0.458`	`6`	`0`	`0`	`0.081`
`5`		[NAD]A:1270	`43`	`1`	`817`	`f`	A	x,y,z	`1_555`	`90`	`32`	`12414`	`557.9`	`-7.8`	`0.521`	`10`	`0`	`0`	`0.376`
`6`		[KI5]A:1272	`12`	`1`	`358`	`f`	A	x,y,z	`1_555`	`31`	`12`	`12414`	`193.3`	`-0.4`	`0.264`	`0`	`0`	`0`	`0.011`
`7`		[KI5]A:1272	`12`	`1`	`358`	`f`	[NAD]A:1270	x,y,z	`1_555`	`18`	`1`	`817`	`114.0`	`-1.3`	`0.347`	`0`	`0`	`0`	`0.040`
`8`		[MG]A:1271	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`7`	`3`	`12414`	`33.2`	`-3.7`	`0.000`	`0`	`0`	`0`	`0.115`

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