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PISA Interface List.

Session Map (id=792-6H-5FM)

Interfaces in PDB 4d1s crystal.
Space symmetry group: C 1 2 1. Resolution: 1.66 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	`62`	`16`	`14561`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`62`	`19`	`14561`	`588.7`	`0.7`	`0.440`	`6`	`2`	`0`	`0.000`
`2`		A	`61`	`17`	`14561`	`◊`	A	-x,y,-z	`2_555`	`60`	`17`	`14561`	`572.7`	`-6.5`	`0.139`	`6`	`0`	`0`	`0.000`
`3`		[BJG]A:1141	`34`	`1`	`746`	`f`	A	x,y,z	`1_555`	`67`	`27`	`14561`	`486.4`	`-9.4`	`0.379`	`3`	`0`	`0`	`0.100`
`4`		A	`48`	`13`	`14561`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`52`	`12`	`14561`	`414.7`	`-0.8`	`0.469`	`3`	`0`	`0`	`0.000`
`5`		A	`46`	`12`	`14561`	`x`	A	x,y,z-1	`1_554`	`37`	`10`	`14561`	`388.7`	`2.6`	`0.723`	`9`	`3`	`0`	`0.000`
`6`		A	`46`	`10`	`14561`	`◊`	A	-x,y,-z+1	`2_556`	`46`	`10`	`14561`	`366.2`	`-2.1`	`0.386`	`8`	`6`	`0`	`0.000`
`7`		[BJG]A:1141	`9`	`1`	`746`	`◊`	A	-x,y,-z	`2_555`	`4`	`2`	`14561`	`44.7`	`0.3`	`0.741`	`0`	`0`	`0`	`0.000`

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