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PISA Interface List.

Session Map (id=299-0D-3PC)

Interfaces in PDB 2bxu crystal.
Space symmetry group: C 1 2 1. Resolution: 2.80 Å

DESIGN AND DISCOVERY OF NOVEL, POTENT THROMBIN INHIBITORS WITH A SOLUBILIZING CATIONIC P1-P2-LINKER

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
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`		L	`108`	`23`	`2926`	`◊`	H	x,y,z	`1_555`	`120`	`32`	`11960`	`1082.8`	`-9.3`	`0.449`	`22`	`8`	`1`	`0.846`
`2`		I	`59`	`10`	`1602`	`◊`	H	x,y,z	`1_555`	`71`	`18`	`11960`	`637.7`	`-3.6`	`0.442`	`9`	`2`	`0`	`0.064`
`3`		[C1D]H:1246	`30`	`1`	`663`	`f`	H	x,y,z	`1_555`	`75`	`25`	`11960`	`462.3`	`-1.8`	`0.367`	`6`	`0`	`0`	`0.154`
`4`		H	`41`	`10`	`11960`	`◊`	H	-x+1,y,-z+1	`2_656`	`42`	`10`	`11960`	`401.6`	`2.2`	`0.727`	`6`	`8`	`0`	`0.000`
`5`		H	`35`	`10`	`11960`	`x`	H	-x+1/2,y-1/2,-z	`4_545`	`22`	`5`	`11960`	`233.8`	`-2.8`	`0.154`	`1`	`0`	`0`	`0.000`
`6`		H	`24`	`6`	`11960`	`◊`	L	x-1/2,y-1/2,z	`3_445`	`21`	`5`	`2926`	`210.5`	`0.6`	`0.748`	`2`	`2`	`0`	`0.000`
`7`		H	`12`	`5`	`11960`	`◊`	H	-x,y,-z	`2_555`	`12`	`5`	`11960`	`137.3`	`3.2`	`0.915`	`6`	`6`	`0`	`0.000`
`8`		H	`5`	`1`	`11960`	`◊`	L	-x+1/2,y-1/2,-z	`4_545`	`7`	`2`	`2926`	`60.9`	`0.9`	`0.748`	`1`	`0`	`0`	`0.000`
`9`		L	`7`	`1`	`2926`	`◊`	L	-x+1,y,-z	`2_655`	`7`	`1`	`2926`	`49.5`	`0.0`	`0.717`	`0`	`0`	`0`	`0.000`
`10`		I	`4`	`1`	`1602`	`◊`	H	-x+1,y,-z+1	`2_656`	`6`	`4`	`11960`	`43.8`	`0.0`	`0.576`	`0`	`0`	`0`	`0.000`
`11`		H	`5`	`2`	`11960`	`x`	H	x-1/2,y+1/2,z	`3_455`	`3`	`2`	`11960`	`27.2`	`0.8`	`0.729`	`1`	`0`	`0`	`0.000`
`12`		I	`3`	`1`	`1602`	`◊`	I	-x+1,y,-z+1	`2_656`	`3`	`1`	`1602`	`17.3`	`0.3`	`0.709`	`0`	`0`	`0`	`0.000`
`13`		H	`4`	`3`	`11960`	`◊`	H	-x+1,y,-z	`2_655`	`4`	`3`	`11960`	`13.6`	`-0.3`	`0.426`	`0`	`0`	`0`	`0.000`

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