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PISA Interface List.

Session Map (id=184-IP-JB0)

Interfaces in PDB 4ryi crystal.
Space symmetry group: P 1 21 1. Resolution: 3.49 Å

CRYSTAL STRUCTURE OF BCTSPO/PK11195 COMPLEX

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	`84`	`27`	`8646`	`◊`	A	x,y,z	`1_555`	`95`	`30`	`8612`	`831.2`	`-18.9`	`0.468`	`1`	`0`	`0`	`0.776`
2	`2`		A	`62`	`19`	`8612`	`◊`	B	-x+1,y-1/2,-z+1	`2_646`	`68`	`20`	`8646`	`622.6`	`-15.8`	`0.359`	`1`	`0`	`0`	`0.790`
3	`3`		A	`56`	`17`	`8612`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`63`	`16`	`8612`	`615.3`	`-15.4`	`0.270`	`1`	`0`	`0`	`0.000`
4	`4`		[PKA]A:201	`25`	`1`	`560`	`f`	A	x,y,z	`1_555`	`61`	`24`	`8612`	`420.0`	`-1.4`	`0.641`	`2`	`0`	`0`	`0.210`
	`5`		[PKA]B:201	`25`	`1`	`557`	`f`	B	x,y,z	`1_555`	`59`	`23`	`8646`	`397.8`	`-1.2`	`0.640`	`2`	`0`	`0`	`0.210`
	*Average:*													`408.9`	`-1.3`	`0.641`	`2`	`0`	`0`	`0.210`
5	`6`		B	`16`	`6`	`8646`	`x`	B	-x+1,y-1/2,-z	`2_645`	`21`	`7`	`8646`	`183.2`	`-4.1`	`0.465`	`2`	`0`	`0`	`0.000`
6	`7`		A	`14`	`4`	`8612`	`◊`	B	-x+2,y-1/2,-z+1	`2_746`	`12`	`5`	`8646`	`120.8`	`0.3`	`0.921`	`1`	`0`	`0`	`0.000`
7	`8`		[PKA]B:201	`10`	`1`	`557`	`◊`	A	x,y,z	`1_555`	`4`	`2`	`8612`	`73.0`	`-1.0`	`0.068`	`0`	`0`	`0`	`0.039`
8	`9`		[PKA]A:201	`8`	`1`	`560`	`◊`	B	x,y,z	`1_555`	`3`	`2`	`8646`	`51.6`	`-0.3`	`0.146`	`0`	`0`	`0`	`0.012`
9	`10`		A	`2`	`1`	`8612`	`x`	A	x-1,y,z	`1_455`	`6`	`2`	`8612`	`29.7`	`0.5`	`0.900`	`0`	`0`	`0`	`0.000`
10	`11`		A	`2`	`1`	`8612`	`◊`	B	x-1,y,z	`1_455`	`2`	`2`	`8646`	`22.2`	`1.0`	`0.952`	`1`	`1`	`0`	`0.000`
11	`12`		A	`1`	`1`	`8612`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`1`	`1`	`8646`	`2.1`	`-0.0`	`0.708`	`0`	`0`	`0`	`0.000`

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