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PISA Interface List.

Session Map (id=587-EK-NCF)

Interfaces in PDB 5bml crystal.
Space symmetry group: P 31 2 1. Resolution: 2.95 Å

ROCK 1 BOUND TO A PYRIDINE THIAZOLE INHIBITOR

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`204`	`57`	`20418`	`◊`	A	x,y,z	`1_555`	`206`	`56`	`20069`	`2151.5`	`-28.3`	`0.011`	`29`	`8`	`0`	`0.915`
2	`2`		A	`87`	`30`	`20069`	`◊`	A	y,x,-z+1	`4_556`	`87`	`30`	`20069`	`776.2`	`-6.7`	`0.316`	`4`	`2`	`0`	`0.000`
3	`3`		A	`70`	`23`	`20069`	`◊`	B	-x+1,-x+y,-z+1/3	`6_655`	`70`	`23`	`20418`	`638.4`	`-0.0`	`0.714`	`8`	`4`	`0`	`0.000`
4	`4`		B	`43`	`13`	`20418`	`x`	B	-y+1,x-y+1,z+1/3	`2_665`	`40`	`9`	`20418`	`398.9`	`-2.7`	`0.269`	`4`	`0`	`0`	`0.000`
5	`5`		[4TW]A:501	`27`	`1`	`615`	`f`	A	x,y,z	`1_555`	`59`	`27`	`20069`	`397.5`	`1.0`	`0.314`	`7`	`0`	`0`	`0.100`
	`6`		[4TW]B:501	`27`	`1`	`617`	`f`	B	x,y,z	`1_555`	`57`	`26`	`20418`	`395.8`	`0.9`	`0.295`	`6`	`0`	`0`	`0.100`
	*Average:*													`396.6`	`0.9`	`0.304`	`7`	`0`	`0`	`0.100`
6	`7`		B	`29`	`11`	`20418`	`◊`	A	-y+1,x-y+1,z+1/3	`2_665`	`28`	`8`	`20069`	`226.9`	`-0.7`	`0.576`	`0`	`0`	`0`	`0.000`
7	`8`		B	`6`	`1`	`20418`	`◊`	A	-y+1,x-y+1,z-2/3	`2_664`	`3`	`1`	`20069`	`35.5`	`1.3`	`0.835`	`1`	`2`	`0`	`0.000`

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