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PISA Interface List.

Session Map (id=898-H2-ICL)

Interfaces in PDB 2y80 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.90 Å

STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR XA INHIBITORS: PYRROLIDIN-2-ONES WITH AMINOINDANE AND PHENYLPYRROLIDINE P4 MOTIFS

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`		B	`96`	`24`	`4094`	`◊`	A	x,y,z	`1_555`	`106`	`31`	`11270`	`877.6`	`-9.9`	`0.063`	`14`	`3`	`1`	`0.460`
`2`		[439]A:1245	`33`	`1`	`688`	`f`	A	x,y,z	`1_555`	`72`	`23`	`11270`	`418.0`	`-0.9`	`0.298`	`3`	`0`	`0`	`0.050`
`3`		A	`47`	`14`	`11270`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`41`	`17`	`11270`	`408.9`	`1.0`	`0.490`	`3`	`4`	`0`	`0.000`
`4`		A	`43`	`13`	`11270`	`◊`	B	x-1/2,-y+1/2,-z+1	`4_456`	`43`	`14`	`4094`	`398.4`	`3.1`	`0.851`	`9`	`8`	`0`	`0.000`
`5`		A	`18`	`4`	`11270`	`◊`	B	x-1,y,z	`1_455`	`29`	`11`	`4094`	`186.4`	`1.1`	`0.759`	`1`	`0`	`0`	`0.000`
`6`		B	`19`	`7`	`4094`	`◊`	A	-x+1,y-1/2,-z+1/2	`3_645`	`20`	`7`	`11270`	`168.6`	`1.4`	`0.749`	`2`	`1`	`0`	`0.000`
`7`		A	`13`	`6`	`11270`	`◊`	B	-x+1,y-1/2,-z+1/2	`3_645`	`14`	`5`	`4094`	`141.0`	`-1.1`	`0.392`	`1`	`0`	`0`	`0.000`
`8`		A	`14`	`6`	`11270`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`7`	`2`	`11270`	`83.5`	`2.3`	`0.854`	`1`	`2`	`0`	`0.000`
`9`		[MG]A:1247	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`8`	`6`	`11270`	`51.3`	`-9.6`	`0.000`	`0`	`0`	`0`	`0.215`
`10`		[CA]A:1246	`1`	`1`	`85`	`f`	A	x,y,z	`1_555`	`11`	`7`	`11270`	`44.4`	`-12.3`	`0.000`	`0`	`0`	`0`	`0.275`

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

Protein Data Bank
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