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PISA Interface List.

Session Map (id=345-42-513)

Interfaces in PDB 5duc crystal.
Space symmetry group: P 21 21 21. Resolution: 2.70 Å

CRYSTAL STRUCTURE OF M. TUBERCULOSIS ECHA6 BOUND TO LIGAND GSK951A

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`144`	`41`	`12138`	`◊`	A	x,y,z	`1_555`	`143`	`38`	`12122`	`1396.0`	`-18.5`	`0.225`	`17`	`4`	`0`	`0.891`
	`2`		C	`140`	`36`	`12156`	`◊`	A	x,y,z	`1_555`	`146`	`41`	`12122`	`1389.4`	`-16.3`	`0.316`	`14`	`3`	`0`	`0.891`
	`3`		C	`140`	`40`	`12156`	`◊`	B	x,y,z	`1_555`	`139`	`37`	`12138`	`1382.4`	`-17.6`	`0.229`	`17`	`3`	`0`	`0.891`
	*Average:*													`1389.2`	`-17.4`	`0.257`	`16`	`3`	`0`	`0.891`
2	`4`		C	`92`	`29`	`12156`	`◊`	A	-x-1,y-1/2,-z-1/2	`3_444`	`85`	`25`	`12122`	`866.1`	`-8.6`	`0.428`	`9`	`2`	`0`	`0.686`
3	`5`		[G51]C:301	`34`	`1`	`694`	`f`	C	x,y,z	`1_555`	`68`	`19`	`12156`	`437.5`	`-1.5`	`0.512`	`3`	`0`	`0`	`0.314`
	`6`		[G51]A:301	`32`	`1`	`688`	`f`	A	x,y,z	`1_555`	`70`	`19`	`12122`	`425.0`	`-1.7`	`0.496`	`3`	`0`	`0`	`0.314`
	`7`		[G51]B:301	`33`	`1`	`687`	`f`	B	x,y,z	`1_555`	`66`	`19`	`12138`	`424.5`	`-1.9`	`0.480`	`3`	`0`	`0`	`0.314`
	*Average:*													`429.0`	`-1.7`	`0.496`	`3`	`0`	`0`	`0.314`
4	`8`		A	`34`	`11`	`12122`	`◊`	B	x-1/2,-y+1/2,-z	`4_455`	`22`	`7`	`12138`	`271.3`	`-3.7`	`0.202`	`1`	`0`	`0`	`0.000`
5	`9`		B	`25`	`10`	`12138`	`x`	B	x-1/2,-y+1/2,-z	`4_455`	`26`	`7`	`12138`	`248.8`	`-0.3`	`0.758`	`1`	`2`	`0`	`0.000`
6	`10`		C	`23`	`7`	`12156`	`◊`	B	x-1,y,z	`1_455`	`20`	`5`	`12138`	`208.8`	`-3.9`	`0.249`	`0`	`0`	`0`	`0.000`
7	`11`		B	`1`	`1`	`12138`	`◊`	A	x-1/2,-y+1/2,-z	`4_455`	`3`	`2`	`12122`	`13.0`	`0.0`	`0.631`	`0`	`0`	`0`	`0.000`
8	`12`		[G51]A:301	`1`	`1`	`688`	`◊`	C	x,y,z	`1_555`	`1`	`1`	`12156`	`10.9`	`0.2`	`0.532`	`0`	`0`	`0`	`0.001`
	`13`		[G51]C:301	`1`	`1`	`694`	`◊`	B	x,y,z	`1_555`	`2`	`1`	`12138`	`10.4`	`-0.5`	`0.266`	`0`	`0`	`0`	`0.001`
	`14`		[G51]B:301	`1`	`1`	`687`	`◊`	A	x,y,z	`1_555`	`1`	`1`	`12122`	`10.2`	`0.2`	`0.531`	`0`	`0`	`0`	`0.001`
	*Average:*													`10.5`	`-0.0`	`0.443`	`0`	`0`	`0`	`0.001`

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