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PISA Interface List.

Session Map (id=635-D0-1DL)

Interfaces in PDB 6cpw crystal.
Space symmetry group: P 21 21 2. Resolution: 1.85 Å

DISCOVERY OF 3(S)-THIOMETHYL PYRROLIDINE ERK INHIBITORS FOR ONCOLOGY

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`		[F8V]A:403	`46`	`1`	`952`	`f`	A	x,y,z	`1_555`	`95`	`29`	`16059`	`689.9`	`-0.0`	`0.391`	`3`	`0`	`0`	`0.005`
`2`		A	`45`	`14`	`16059`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`46`	`11`	`16059`	`440.7`	`-5.9`	`0.106`	`0`	`2`	`0`	`0.000`
`3`		A	`43`	`12`	`16059`	`x`	A	x,y,z-1	`1_554`	`43`	`14`	`16059`	`413.1`	`-2.0`	`0.423`	`0`	`0`	`0`	`0.000`
`4`		A	`36`	`11`	`16059`	`x`	A	-x+3/2,y-1/2,-z+1	`3_646`	`29`	`9`	`16059`	`308.2`	`-2.7`	`0.295`	`1`	`0`	`0`	`0.000`
`5`		[SO4]A:401	`5`	`1`	`187`	`f`	A	x,y,z	`1_555`	`12`	`5`	`16059`	`90.7`	`-12.6`	`0.905`	`4`	`0`	`0`	`0.058`
`6`		A	`10`	`4`	`16059`	`◊`	[SO4]A:402	-x+3/2,y-1/2,-z+1	`3_646`	`4`	`1`	`186`	`67.8`	`-8.2`	`0.815`	`1`	`0`	`0`	`0.000`
`7`		[SO4]A:402	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`9`	`5`	`16059`	`67.7`	`-8.5`	`0.805`	`1`	`0`	`0`	`0.036`
`8`		A	`6`	`2`	`16059`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`4`	`2`	`16059`	`35.9`	`-0.7`	`0.362`	`0`	`0`	`0`	`0.000`
`9`		A	`3`	`2`	`16059`	`◊`	A	-x+2,-y,z	`2_755`	`3`	`2`	`16059`	`10.1`	`0.1`	`0.650`	`0`	`0`	`0`	`0.000`

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