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PISA Interface List.

Session Map (id=528-9A-4H3)

Interfaces in PDB 1mcs crystal.
Space symmetry group: P 31 2 1. Resolution: 2.70 Å

PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS

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	`189`	`61`	`11179`	`◊`	A	x,y,z	`1_555`	`186`	`57`	`11386`	`1777.6`	`-21.6`	`0.207`	`25`	`0`	`1`	`1.000`
`2`		B	`42`	`14`	`11179`	`◊`	A	-x+1,-x+y,-z+4/3	`6_656`	`38`	`11`	`11386`	`375.6`	`-0.8`	`0.678`	`9`	`0`	`0`	`0.000`
`3`		B	`36`	`12`	`11179`	`◊`	A	y,x-1,-z+1	`4_546`	`34`	`13`	`11386`	`308.8`	`-2.7`	`0.513`	`4`	`0`	`0`	`0.000`
`4`		B	`31`	`10`	`11179`	`◊`	B	y+1,x-1,-z+1	`4_646`	`32`	`10`	`11179`	`277.2`	`-0.0`	`0.784`	`4`	`0`	`0`	`0.000`
`5`		P	`23`	`4`	`688`	`◊`	A	x,y,z	`1_555`	`38`	`11`	`11386`	`247.4`	`-2.2`	`0.610`	`2`	`1`	`0`	`0.070`
`6`		P	`21`	`4`	`688`	`◊`	B	x,y,z	`1_555`	`31`	`9`	`11179`	`224.6`	`-2.2`	`0.621`	`3`	`0`	`0`	`0.075`
`7`		B	`22`	`9`	`11179`	`x`	B	-x+1,-x+y,-z+4/3	`6_656`	`23`	`5`	`11179`	`197.0`	`1.0`	`0.842`	`7`	`1`	`0`	`0.000`
`8`		B	`23`	`8`	`11179`	`◊`	A	-y,x-y-1,z+1/3	`2_545`	`21`	`8`	`11386`	`195.1`	`-1.7`	`0.498`	`2`	`0`	`0`	`0.000`
`9`		A	`26`	`11`	`11386`	`x`	A	y,x-1,-z+1	`4_546`	`27`	`8`	`11386`	`170.2`	`-1.7`	`0.572`	`1`	`0`	`0`	`0.000`
`10`		A	`14`	`5`	`11386`	`x`	A	-x+1,-x+y,-z+4/3	`6_656`	`12`	`4`	`11386`	`125.3`	`-1.5`	`0.431`	`2`	`0`	`0`	`0.000`
`11`		A	`12`	`6`	`11386`	`◊`	B	-y,x-y-1,z+1/3	`2_545`	`13`	`7`	`11179`	`98.1`	`0.5`	`0.784`	`0`	`0`	`0`	`0.000`
`12`		B	`10`	`3`	`11179`	`x`	B	-y,x-y-1,z+1/3	`2_545`	`7`	`2`	`11179`	`73.8`	`-1.5`	`0.296`	`0`	`0`	`0`	`0.000`
`13`		A	`10`	`3`	`11386`	`x`	A	-y,x-y-1,z+1/3	`2_545`	`7`	`2`	`11386`	`69.5`	`0.2`	`0.703`	`0`	`0`	`0`	`0.000`
`14`		[ACE]P:0	`3`	`1`	`172`	`cf`	P	x,y,z	`1_555`	`9`	`2`	`688`	`53.3`	`-0.8`	`0.742`	`0`	`0`	`0`	`0.100`
`15`		[ACE]P:0	`3`	`1`	`172`	`◊`	B	x,y,z	`1_555`	`10`	`5`	`11179`	`53.3`	`-1.1`	`0.586`	`0`	`0`	`0`	`0.023`
`16`		[ACE]P:0	`3`	`1`	`172`	`◊`	A	x,y,z	`1_555`	`12`	`4`	`11386`	`51.8`	`-0.8`	`0.611`	`1`	`0`	`0`	`0.026`
`17`		P	`4`	`1`	`688`	`◊`	A	y,x-1,-z+1	`4_546`	`5`	`4`	`11386`	`40.1`	`-1.0`	`0.368`	`0`	`0`	`0`	`0.000`

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