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PISA Interface List.

Session Map (id=573-45-2HF)

Interfaces in PDB 4d0w crystal.
Space symmetry group: C 2 2 21. Resolution: 1.77 Å

PYRROLE-3-CARBOXAMIDES AS POTENT AND SELECTIVE JAK2 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`		A	`92`	`25`	`15050`	`x`	A	-x+1/2,-y-1/2,z-1/2	`6_544`	`92`	`27`	`15050`	`810.7`	`-5.9`	`0.257`	`3`	`2`	`0`	`0.000`
`2`		A	`78`	`28`	`15050`	`◊`	A	x,-y,-z	`3_555`	`78`	`28`	`15050`	`755.7`	`4.2`	`0.840`	`8`	`2`	`0`	`0.000`
`3`		A	`82`	`21`	`15050`	`x`	A	x-1/2,-y-1/2,-z	`7_445`	`83`	`19`	`15050`	`731.0`	`-1.6`	`0.500`	`11`	`8`	`0`	`0.000`
`4`		A	`48`	`15`	`15050`	`◊`	A	-x+1,y,-z+1/2	`4_655`	`49`	`15`	`15050`	`466.6`	`0.7`	`0.657`	`4`	`0`	`0`	`0.000`
`5`		[VVQ]A:2132	`23`	`1`	`522`	`f`	A	x,y,z	`1_555`	`52`	`22`	`15050`	`373.8`	`-7.9`	`0.331`	`1`	`0`	`0`	`0.089`
`6`		[GOL]A:2131	`6`	`1`	`222`	`◊`	A	x,y,z	`1_555`	`19`	`5`	`15050`	`78.7`	`-0.1`	`0.541`	`2`	`0`	`0`	`0.000`
`7`		[GOL]A:2131	`6`	`1`	`222`	`f`	A	x,-y,-z	`3_555`	`20`	`5`	`15050`	`76.9`	`-1.0`	`0.370`	`0`	`0`	`0`	`0.011`
`8`		[GOL]A:2131	`6`	`1`	`222`	`◊`	[GOL]A:2131	x,-y,-z	`3_555`	`6`	`1`	`222`	`63.0`	`-0.5`	`0.423`	`0`	`0`	`0`	`0.000`
`9`		A	`7`	`2`	`15050`	`◊`	A	-x+1,y,-z-1/2	`4_654`	`7`	`2`	`15050`	`54.3`	`0.1`	`0.619`	`0`	`0`	`0`	`0.000`

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