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Interfaces in PDB 1ai8 crystal.
Space symmetry group: C 1 2 1. Resolution: 1.85 Å

HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG

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`		H	`126`	`34`	`11881`	`◊`	L	x,y,z	`1_555`	`103`	`22`	`2930`	`1073.6`	`-8.7`	`0.481`	`21`	`9`	`1`	`0.881`
`2`		I	`56`	`9`	`1459`	`◊`	H	x,y,z	`1_555`	`64`	`17`	`11881`	`591.4`	`-5.0`	`0.353`	`4`	`0`	`0`	`0.068`
`3`		[T42]H:2	`36`	`1`	`820`	`cf`	H	x,y,z	`1_555`	`76`	`26`	`11881`	`496.1`	`-0.5`	`0.294`	`6`	`0`	`0`	`0.119`
`4`		H	`29`	`9`	`11881`	`◊`	H	-x+1,y,-z+1	`2_656`	`30`	`9`	`11881`	`347.3`	`-0.3`	`0.485`	`4`	`2`	`0`	`0.000`
`5`		H	`40`	`10`	`11881`	`x`	H	-x+1/2,y-1/2,-z	`4_545`	`27`	`8`	`11881`	`276.3`	`-1.9`	`0.240`	`0`	`0`	`0`	`0.000`
`6`		H	`22`	`6`	`11881`	`◊`	L	x-1/2,y-1/2,z	`3_445`	`25`	`7`	`2930`	`228.8`	`1.3`	`0.811`	`4`	`2`	`0`	`0.000`
`7`		H	`19`	`9`	`11881`	`◊`	H	-x,y,-z	`2_555`	`19`	`9`	`11881`	`182.7`	`5.6`	`0.957`	`4`	`8`	`0`	`0.000`
`8`		H	`4`	`1`	`11881`	`◊`	L	-x+1/2,y-1/2,-z	`4_545`	`7`	`3`	`2930`	`66.5`	`1.4`	`0.805`	`1`	`0`	`0`	`0.000`
`9`		L	`10`	`4`	`2930`	`◊`	L	-x+1,y,-z	`2_655`	`10`	`4`	`2930`	`64.9`	`-0.2`	`0.733`	`0`	`0`	`0`	`0.000`
`10`		I	`7`	`2`	`1459`	`◊`	H	-x+1,y,-z+1	`2_656`	`6`	`5`	`11881`	`46.8`	`0.2`	`0.620`	`0`	`0`	`0`	`0.000`
`11`		H	`4`	`2`	`11881`	`x`	H	x-1/2,y+1/2,z	`3_455`	`2`	`1`	`11881`	`31.2`	`1.1`	`0.723`	`1`	`0`	`0`	`0.000`
`12`		H	`4`	`3`	`11881`	`◊`	H	-x+1,y,-z	`2_655`	`4`	`3`	`11881`	`24.0`	`-0.6`	`0.334`	`0`	`0`	`0`	`0.000`

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

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