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PISA Interface List.

Session Map (id=996-D9-HKJ)

Interfaces in PDB 3pi5 crystal.
Space symmetry group: P 1 21 1. Resolution: 2.40 Å

CRYSTAL STRUCTURE OF HUMAN BETA SECRETASE IN COMPLEX WITH BFG356

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`		C	`102`	`30`	`16517`	`◊`	A	x,y,z	`1_555`	`108`	`33`	`16409`	`982.6`	`-3.0`	`0.486`	`9`	`4`	`0`	`0.000`
2	`2`		B	`53`	`20`	`16232`	`◊`	A	x,y,z	`1_555`	`66`	`18`	`16409`	`506.3`	`-5.7`	`0.161`	`5`	`1`	`0`	`0.000`
3	`3`		C	`52`	`17`	`16517`	`◊`	B	-x,y-1/2,-z	`2_545`	`65`	`20`	`16232`	`486.3`	`-4.4`	`0.141`	`2`	`2`	`0`	`0.000`
4	`4`		[3P5]A:387	`29`	`1`	`637`	`f`	A	x,y,z	`1_555`	`75`	`30`	`16409`	`472.9`	`-2.8`	`0.561`	`5`	`0`	`0`	`0.100`
	`5`		[3P5]B:387	`29`	`1`	`638`	`f`	B	x,y,z	`1_555`	`73`	`29`	`16232`	`470.2`	`-2.7`	`0.546`	`5`	`0`	`0`	`0.100`
	`6`		[3P5]C:387	`29`	`1`	`636`	`f`	C	x,y,z	`1_555`	`74`	`29`	`16517`	`466.8`	`-2.7`	`0.570`	`5`	`0`	`0`	`0.100`
	*Average:*													`470.0`	`-2.7`	`0.559`	`5`	`0`	`0`	`0.100`
5	`7`		C	`51`	`13`	`16517`	`◊`	A	-x+1,y-1/2,-z+1	`2_646`	`44`	`16`	`16409`	`412.2`	`-3.7`	`0.256`	`3`	`2`	`0`	`0.000`
6	`8`		A	`48`	`14`	`16409`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`45`	`14`	`16232`	`411.4`	`-6.9`	`0.059`	`0`	`0`	`0`	`0.000`
7	`9`		C	`34`	`10`	`16517`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`40`	`11`	`16232`	`333.3`	`-3.0`	`0.264`	`2`	`5`	`0`	`0.000`
8	`10`		B	`14`	`7`	`16232`	`◊`	A	-x+1,y-1/2,-z	`2_645`	`15`	`5`	`16409`	`132.8`	`-0.3`	`0.503`	`1`	`0`	`0`	`0.000`
9	`11`		C	`13`	`4`	`16517`	`x`	C	-x,y-1/2,-z+1	`2_546`	`12`	`4`	`16517`	`91.8`	`-1.4`	`0.318`	`1`	`0`	`0`	`0.000`

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