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PISA Interface List.

Session Map (id=249-4E-949)

Interfaces in PDB 3bqn crystal.
Space symmetry group: P 21 21 2. Resolution: 1.80 Å

LFA-1 I DOMAIN BOUND TO INHIBITORS

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	`88`	`21`	`9533`	`◊`	B	x,y,z	`1_555`	`86`	`22`	`9433`	`876.4`	`-5.3`	`0.459`	`17`	`0`	`0`	`0.000`
2	`2`		C	`51`	`15`	`9533`	`◊`	B	x,y,z-1	`1_554`	`57`	`17`	`9433`	`524.3`	`-9.3`	`0.103`	`2`	`0`	`0`	`0.132`
3	`3`		[BQN]C:1	`38`	`1`	`754`	`f`	C	x,y,z	`1_555`	`59`	`22`	`9533`	`483.8`	`1.9`	`0.200`	`1`	`0`	`0`	`0.000`
4	`4`		[BQN]B:1	`38`	`1`	`737`	`f`	B	x,y,z	`1_555`	`58`	`22`	`9433`	`466.4`	`2.0`	`0.223`	`2`	`0`	`0`	`0.000`
5	`5`		B	`52`	`16`	`9433`	`x`	B	x-1/2,-y+1/2,-z	`4_455`	`48`	`13`	`9433`	`399.8`	`-0.5`	`0.715`	`3`	`0`	`0`	`0.000`
6	`6`		C	`46`	`14`	`9533`	`x`	C	x-1/2,-y+1/2,-z-1	`4_454`	`43`	`13`	`9533`	`376.7`	`2.2`	`0.804`	`3`	`0`	`0`	`0.000`
7	`7`		B	`40`	`13`	`9433`	`◊`	B	-x,-y,z	`2_555`	`40`	`13`	`9433`	`351.7`	`1.5`	`0.834`	`4`	`6`	`0`	`0.000`
8	`8`		C	`33`	`9`	`9533`	`◊`	C	-x-1,-y,z	`2_455`	`33`	`9`	`9533`	`348.3`	`-1.8`	`0.528`	`4`	`2`	`0`	`0.000`
9	`9`		C	`26`	`11`	`9533`	`x`	C	-x-1/2,y-1/2,-z-1	`3_444`	`26`	`6`	`9533`	`234.0`	`1.3`	`0.794`	`2`	`3`	`0`	`0.000`
10	`10`		[BQN]B:1	`17`	`1`	`737`	`◊`	C	x,y,z	`1_555`	`11`	`3`	`9533`	`132.0`	`2.3`	`0.211`	`0`	`0`	`0`	`0.000`
	`11`		[BQN]C:1	`13`	`1`	`754`	`◊`	B	x,y,z	`1_555`	`10`	`3`	`9433`	`94.2`	`1.6`	`0.349`	`0`	`0`	`0`	`0.000`
	*Average:*													`113.1`	`2.0`	`0.280`	`0`	`0`	`0`	`0.000`
11	`12`		B	`15`	`6`	`9433`	`x`	B	-x-1/2,y-1/2,-z	`3_445`	`16`	`6`	`9433`	`106.8`	`-0.3`	`0.619`	`0`	`1`	`0`	`0.000`
12	`13`		C	`1`	`1`	`9533`	`◊`	B	x-1/2,-y+1/2,-z	`4_455`	`1`	`1`	`9433`	`0.2`	`-0.0`	`0.638`	`0`	`0`	`0`	`0.000`

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