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PISA Interface List.

Session Map (id=782-I5-222)

Interfaces in PDB 2f9b crystal.
Space symmetry group: P 1 21 1. Resolution: 2.54 Å

DISCOVERY OF NOVEL HETEROCYCLIC FACTOR VIIA INHIBITORS

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`		H	`102`	`28`	`11711`	`◊`	L	x,y,z	`1_555`	`107`	`23`	`6858`	`924.1`	`-10.3`	`0.400`	`14`	`3`	`1`	`0.907`
`2`		T	`88`	`27`	`8413`	`◊`	L	x,y,z	`1_555`	`78`	`20`	`6858`	`814.0`	`-5.6`	`0.542`	`5`	`10`	`0`	`0.241`
`3`		T	`65`	`21`	`8413`	`◊`	H	x,y,z	`1_555`	`66`	`18`	`11711`	`615.8`	`-0.6`	`0.718`	`12`	`2`	`0`	`0.160`
`4`		[N1H]H:258	`30`	`1`	`613`	`f`	H	x,y,z	`1_555`	`56`	`21`	`11711`	`391.2`	`2.3`	`0.365`	`10`	`0`	`0`	`0.100`
`5`		T	`28`	`10`	`8413`	`◊`	L	-x+1,y-1/2,-z+1	`2_646`	`25`	`7`	`6858`	`227.3`	`-0.1`	`0.684`	`4`	`1`	`0`	`0.000`
`6`		H	`22`	`6`	`11711`	`◊`	L	-x+1,y-1/2,-z+1	`2_646`	`21`	`6`	`6858`	`199.5`	`-1.8`	`0.517`	`2`	`0`	`0`	`0.000`
`7`		H	`13`	`5`	`11711`	`x`	H	-x+1,y-1/2,-z	`2_645`	`20`	`6`	`11711`	`151.3`	`-3.5`	`0.146`	`1`	`0`	`0`	`0.000`
`8`		L	`12`	`3`	`6858`	`◊`	H	-x+1,y-1/2,-z+1	`2_646`	`13`	`5`	`11711`	`123.9`	`0.2`	`0.733`	`2`	`0`	`0`	`0.000`
`9`		H	`11`	`4`	`11711`	`◊`	L	-x+1,y-1/2,-z	`2_645`	`8`	`2`	`6858`	`93.0`	`-0.2`	`0.624`	`3`	`0`	`0`	`0.000`
`10`		T	`4`	`3`	`8413`	`◊`	H	-x+1,y-1/2,-z+1	`2_646`	`6`	`3`	`11711`	`20.8`	`0.2`	`0.700`	`0`	`0`	`0`	`0.000`
`11`		T	`1`	`1`	`8413`	`x`	T	-x,y-1/2,-z+1	`2_546`	`3`	`1`	`8413`	`14.2`	`-0.0`	`0.357`	`0`	`0`	`0`	`0.000`

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