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Interfaces in PDB 3o1e crystal.
Space symmetry group: P 65 2 2. Resolution: 2.50 Å

STRUCTURE-FUNCTION OF GEMINI DERIVATIVES WITH TWO DIFFERENT SIDE CHAINS AT C-20, GEMINI-0072 AND GEMINI-0097.

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`		A	`100`	`23`	`12057`	`x`	A	-x+1,-x+y,-z+1/3	`9_655`	`103`	`33`	`12057`	`929.9`	`-8.9`	`0.344`	`7`	`5`	`0`	`0.000`
`2`		[H97]A:1	`38`	`1`	`832`	`f`	A	x,y,z	`1_555`	`85`	`34`	`12057`	`631.1`	`-0.0`	`0.263`	`8`	`0`	`0`	`0.273`
`3`		B	`43`	`9`	`1371`	`◊`	A	x,y,z	`1_555`	`57`	`19`	`12057`	`554.6`	`-7.1`	`0.356`	`5`	`1`	`0`	`0.727`
`4`		A	`51`	`17`	`12057`	`◊`	A	-y+1,-x+1,-z+1/6	`10_665`	`49`	`17`	`12057`	`467.7`	`-9.1`	`0.086`	`0`	`0`	`0`	`0.206`
`5`		B	`18`	`4`	`1371`	`◊`	A	-y+1,-x+1,-z+1/6	`10_665`	`24`	`6`	`12057`	`219.9`	`-2.1`	`0.349`	`4`	`4`	`0`	`0.201`
`6`		A	`22`	`7`	`12057`	`◊`	A	-x+y,y,-z+1/2	`11_555`	`23`	`7`	`12057`	`197.9`	`-0.2`	`0.668`	`0`	`0`	`0`	`0.000`
`7`		B	`20`	`5`	`1371`	`◊`	A	x-y+1,x,z-1/6	`6_654`	`21`	`6`	`12057`	`189.3`	`-1.9`	`0.428`	`0`	`0`	`0`	`0.000`
`8`		A	`4`	`2`	`12057`	`x`	A	x-y+1,x,z-1/6	`6_654`	`4`	`2`	`12057`	`16.5`	`-0.2`	`0.569`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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