PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=564-HI-514)

Interfaces in PDB 3nq2 crystal.
Space symmetry group: C 1 2 1. Resolution: 2.02 Å

OPTIMIZATION OF THE IN SILICO DESIGNED KEMP ELIMINASE KE70 BY COMPUTATIONAL DESIGN AND DIRECTED EVOLUTION R2 3/5G

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	`64`	`14`	`10407`	`◊`	A	-x+1,y,-z+1	`2_656`	`63`	`14`	`10254`	`560.6`	`-7.3`	`0.265`	`2`	`2`	`0`	`0.000`
2	`2`		B	`29`	`11`	`10407`	`◊`	A	x,y,z	`1_555`	`34`	`13`	`10254`	`258.1`	`-1.2`	`0.603`	`1`	`0`	`0`	`0.000`
3	`3`		B	`31`	`10`	`10407`	`◊`	A	-x,y,-z	`2_555`	`28`	`10`	`10254`	`249.3`	`2.5`	`0.896`	`4`	`0`	`0`	`0.000`
4	`4`		B	`23`	`7`	`10407`	`x`	B	-x+1/2,y-1/2,-z+1	`4_546`	`22`	`9`	`10407`	`181.9`	`-0.9`	`0.601`	`2`	`0`	`0`	`0.000`
	`5`		A	`23`	`9`	`10254`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`22`	`7`	`10254`	`166.0`	`-1.4`	`0.527`	`2`	`0`	`0`	`0.000`
	*Average:*													`173.9`	`-1.1`	`0.564`	`2`	`0`	`0`	`0.000`
5	`6`		[IMD]B:265	`5`	`1`	`198`	`f`	B	x,y,z	`1_555`	`24`	`12`	`10407`	`133.5`	`4.7`	`0.514`	`0`	`0`	`0`	`0.000`
6	`7`		[IMD]A:267	`5`	`1`	`199`	`f`	A	x,y,z	`1_555`	`21`	`10`	`10254`	`132.2`	`4.8`	`0.515`	`0`	`0`	`0`	`0.000`
7	`8`		A	`13`	`7`	`10254`	`◊`	B	x,y,z-1	`1_554`	`10`	`5`	`10407`	`74.7`	`-0.3`	`0.616`	`0`	`0`	`0`	`0.000`
8	`9`		B	`7`	`4`	`10407`	`◊`	B	-x+1,y,-z+1	`2_656`	`7`	`4`	`10407`	`40.4`	`0.5`	`0.764`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe