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PISA Interface List.

Session Map (id=945-IM-NNG)

Interfaces in PDB 2bxt crystal.
Space symmetry group: C 1 2 1. Resolution: 1.83 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	`103`	`23`	`2926`	`◊`	H	x,y,z	`1_555`	`125`	`34`	`11940`	`1069.4`	`-8.0`	`0.477`	`22`	`10`	`1`	`0.588`
`2`		I	`57`	`10`	`1609`	`◊`	H	x,y,z	`1_555`	`68`	`18`	`11940`	`623.9`	`-3.7`	`0.379`	`8`	`2`	`0`	`0.032`
`3`		[C2D]H:1246	`31`	`1`	`678`	`f`	H	x,y,z	`1_555`	`74`	`23`	`11940`	`462.1`	`-14.6`	`0.331`	`4`	`0`	`0`	`0.412`
`4`		H	`42`	`10`	`11940`	`◊`	H	-x+1,y,-z+1	`2_656`	`42`	`10`	`11940`	`452.2`	`4.4`	`0.843`	`4`	`2`	`0`	`0.000`
`5`		H	`34`	`10`	`11940`	`x`	H	-x+1/2,y-1/2,-z	`4_545`	`26`	`6`	`11940`	`241.2`	`-2.3`	`0.212`	`0`	`0`	`0`	`0.000`
`6`		H	`23`	`6`	`11940`	`◊`	L	x-1/2,y-1/2,z	`3_445`	`21`	`5`	`2926`	`202.2`	`-0.0`	`0.669`	`4`	`2`	`0`	`0.000`
`7`		H	`14`	`6`	`11940`	`◊`	H	-x,y,-z	`2_555`	`14`	`6`	`11940`	`153.6`	`4.6`	`0.951`	`4`	`8`	`0`	`0.000`
`8`		I	`6`	`2`	`1609`	`◊`	H	-x+1,y,-z+1	`2_656`	`10`	`4`	`11940`	`76.4`	`0.8`	`0.723`	`1`	`1`	`0`	`0.000`
`9`		H	`4`	`1`	`11940`	`◊`	L	-x+1/2,y-1/2,-z	`4_545`	`6`	`2`	`2926`	`57.0`	`1.0`	`0.752`	`1`	`0`	`0`	`0.000`
`10`		L	`7`	`1`	`2926`	`◊`	L	-x+1,y,-z	`2_655`	`7`	`1`	`2926`	`53.0`	`-0.3`	`0.656`	`0`	`0`	`0`	`0.000`
`11`		H	`5`	`2`	`11940`	`x`	H	x-1/2,y+1/2,z	`3_455`	`5`	`4`	`11940`	`26.7`	`0.7`	`0.728`	`1`	`0`	`0`	`0.000`
`12`		H	`4`	`3`	`11940`	`◊`	H	-x+1,y,-z	`2_655`	`4`	`3`	`11940`	`16.4`	`-0.4`	`0.395`	`0`	`0`	`0`	`0.000`
`13`		I	`1`	`1`	`1609`	`◊`	I	-x+1,y,-z+1	`2_656`	`1`	`1`	`1609`	`3.4`	`0.1`	`0.680`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe