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Interfaces in PDB 6fhd crystal.
Space symmetry group: C 1 2 1. Resolution: 1.85 Å

CRYSTAL STRUCTURE OF THE AMYLOID-LIKE, OUT-OF-REGISTER BETA-SHEETS, POLYMORPH OF THE LFKFFK SEGMENT FROM THE S. AUREUS PSMALPHA3

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	`32`	`6`	`1161`	`◊`	A	x,y,z	`1_555`	`33`	`6`	`1109`	`216.3`	`-2.9`	`0.699`	`6`	`0`	`0`	`0.307`
2	`2`		B	`27`	`5`	`1161`	`◊`	A	x,y-1,z	`1_545`	`27`	`6`	`1109`	`161.2`	`-1.3`	`0.792`	`6`	`0`	`0`	`0.035`
3	`3`		A	`14`	`3`	`1109`	`◊`	A	-x+2,y,-z+3	`2_758`	`14`	`3`	`1109`	`97.5`	`-2.6`	`0.408`	`0`	`0`	`0`	`0.083`
	`4`		B	`15`	`3`	`1161`	`◊`	B	-x+2,y,-z+2	`2_757`	`15`	`3`	`1161`	`93.9`	`-2.5`	`0.481`	`0`	`0`	`0`	`0.083`
	*Average:*													`95.7`	`-2.6`	`0.445`	`0`	`0`	`0`	`0.083`
4	`5`		B	`11`	`3`	`1161`	`◊`	A	-x+5/2,y-1/2,-z+3	`4_748`	`12`	`3`	`1109`	`71.3`	`-2.2`	`0.473`	`0`	`0`	`0`	`0.000`
5	`6`		B	`13`	`2`	`1161`	`◊`	B	-x+2,y,-z+3	`2_758`	`14`	`2`	`1161`	`69.6`	`-1.5`	`0.622`	`0`	`0`	`0`	`0.133`
	`7`		A	`13`	`3`	`1109`	`◊`	A	-x+2,y,-z+2	`2_757`	`13`	`3`	`1109`	`66.5`	`-1.5`	`0.573`	`0`	`0`	`0`	`0.133`
	*Average:*													`68.0`	`-1.5`	`0.597`	`0`	`0`	`0`	`0.133`
6	`8`		B	`12`	`3`	`1161`	`◊`	A	-x+2,y-1,-z+3	`2_748`	`4`	`1`	`1109`	`56.7`	`-1.3`	`0.344`	`0`	`0`	`0`	`0.000`
	`9`		B	`5`	`1`	`1161`	`◊`	A	-x+2,y-1,-z+2	`2_747`	`15`	`3`	`1109`	`53.0`	`-1.3`	`0.424`	`0`	`0`	`0`	`0.000`
	*Average:*													`54.8`	`-1.3`	`0.384`	`0`	`0`	`0`	`0.000`
7	`10`		[NA]B:102	`1`	`1`	`125`	`x`	B	x,y,z	`1_555`	`8`	`3`	`1161`	`47.3`	`-6.8`	`0.000`	`0`	`0`	`0`	`0.442`
8	`11`		B	`7`	`1`	`1161`	`x`	B	-x+5/2,y-1/2,-z+3	`4_748`	`8`	`2`	`1161`	`46.3`	`-1.5`	`0.498`	`0`	`0`	`0`	`0.000`
9	`12`		A	`6`	`3`	`1109`	`x`	A	-x+5/2,y-1/2,-z+3	`4_748`	`10`	`2`	`1109`	`43.0`	`-1.3`	`0.493`	`0`	`0`	`0`	`0.000`
10	`13`		A	`8`	`2`	`1109`	`◊`	B	-x+5/2,y-1/2,-z+3	`4_748`	`6`	`2`	`1161`	`40.9`	`-0.7`	`0.626`	`0`	`0`	`0`	`0.000`
11	`14`		B	`7`	`2`	`1161`	`◊`	A	-x+2,y,-z+3	`2_758`	`6`	`3`	`1109`	`39.9`	`0.3`	`0.804`	`1`	`0`	`0`	`0.000`
	`15`		B	`3`	`1`	`1161`	`◊`	A	-x+2,y,-z+2	`2_757`	`6`	`1`	`1109`	`25.1`	`0.0`	`0.764`	`0`	`0`	`0`	`0.000`
	*Average:*													`32.5`	`0.2`	`0.784`	`1`	`0`	`0`	`0.000`
12	`16`		[NA]B:102	`1`	`1`	`125`	`x`	A	x,y,z	`1_555`	`8`	`2`	`1109`	`35.1`	`-4.8`	`0.000`	`0`	`0`	`0`	`0.867`
13	`17`		[SO4]B:101	`4`	`1`	`186`	`f`	B	x,y,z	`1_555`	`6`	`2`	`1161`	`32.6`	`-3.9`	`0.880`	`1`	`0`	`0`	`0.294`
14	`18`		[SO4]B:101	`4`	`1`	`186`	`◊`	B	-x+2,y,-z+3	`2_758`	`6`	`2`	`1161`	`32.1`	`-3.5`	`0.908`	`1`	`0`	`0`	`0.267`
15	`19`		[SO4]B:101	`4`	`1`	`186`	`◊`	A	x,y,z	`1_555`	`4`	`2`	`1109`	`31.0`	`-3.5`	`0.888`	`1`	`0`	`0`	`0.219`
16	`20`		[SO4]B:101	`4`	`1`	`186`	`◊`	A	-x+2,y,-z+2	`2_757`	`7`	`1`	`1109`	`27.1`	`-3.3`	`0.792`	`0`	`0`	`0`	`0.000`
17	`21`		[SO4]A:101	`4`	`1`	`186`	`f`	B	x,y-1,z-1	`1_544`	`6`	`1`	`1161`	`22.9`	`-2.9`	`0.841`	`0`	`0`	`0`	`0.201`
18	`22`		[SO4]A:101	`3`	`1`	`186`	`◊`	B	-x+2,y,-z+2	`2_757`	`3`	`1`	`1161`	`22.5`	`-1.9`	`0.950`	`2`	`0`	`0`	`0.000`
19	`23`		[SO4]A:101	`4`	`1`	`186`	`◊`	A	-x+2,y-1,-z+2	`2_747`	`3`	`1`	`1109`	`22.5`	`-1.8`	`0.949`	`1`	`0`	`0`	`0.000`
20	`24`		[SO4]A:101	`3`	`1`	`186`	`◊`	A	-x+5/2,y-1/2,-z+2	`4_747`	`3`	`1`	`1109`	`22.3`	`-1.9`	`0.942`	`2`	`0`	`0`	`0.000`
21	`25`		[SO4]A:101	`3`	`1`	`186`	`◊`	B	x,y,z	`1_555`	`3`	`1`	`1161`	`19.2`	`-2.3`	`0.793`	`0`	`0`	`0`	`0.000`
22	`26`		[SO4]A:101	`3`	`1`	`186`	`◊`	B	-x+5/2,y-1/2,-z+3	`4_748`	`2`	`1`	`1161`	`18.5`	`-1.2`	`0.964`	`1`	`0`	`0`	`0.000`
23	`27`		[SO4]A:101	`1`	`1`	`186`	`◊`	A	x,y-1,z	`1_545`	`2`	`1`	`1109`	`13.6`	`-1.8`	`0.679`	`0`	`0`	`0`	`0.000`
24	`28`		[SO4]A:101	`4`	`1`	`186`	`◊`	A	x,y,z	`1_555`	`3`	`1`	`1109`	`12.9`	`-1.1`	`0.908`	`0`	`0`	`0`	`0.000`
25	`29`		A	`2`	`1`	`1109`	`◊`	B	x,y,z-1	`1_554`	`2`	`1`	`1161`	`12.8`	`0.4`	`0.847`	`0`	`0`	`0`	`0.000`
26	`30`		[SO4]A:101	`4`	`1`	`186`	`◊`	[SO4]B:101	-x+2,y-1,-z+2	`2_747`	`1`	`1`	`186`	`12.1`	`-2.7`	`0.894`	`0`	`0`	`0`	`0.185`
27	`31`		[SO4]B:101	`1`	`1`	`186`	`◊`	[SO4]A:101	x-1/2,y+1/2,z	`3_455`	`4`	`1`	`186`	`11.6`	`-2.6`	`0.894`	`0`	`0`	`0`	`0.000`
28	`32`		[SO4]A:101	`3`	`1`	`186`	`◊`	A	x,y-1,z-1	`1_544`	`1`	`1`	`1109`	`10.4`	`-1.3`	`0.627`	`0`	`0`	`0`	`0.071`
29	`33`		[SO4]B:101	`2`	`1`	`186`	`◊`	A	-x+2,y-1,-z+3	`2_748`	`2`	`1`	`1109`	`9.3`	`-0.9`	`0.880`	`0`	`0`	`0`	`0.000`
30	`34`		[SO4]B:101	`3`	`1`	`186`	`◊`	[SO4]A:101	-x+2,y,-z+2	`2_757`	`2`	`1`	`186`	`8.3`	`-2.0`	`0.976`	`0`	`0`	`0`	`0.000`
31	`35`		[SO4]B:101	`3`	`1`	`186`	`◊`	A	x-1/2,y-1/2,z	`3_445`	`2`	`1`	`1109`	`8.0`	`-0.5`	`0.948`	`0`	`0`	`0`	`0.000`
32	`36`		B	`1`	`1`	`1161`	`x`	B	x-1/2,y-1/2,z-1	`3_444`	`2`	`1`	`1161`	`7.2`	`0.4`	`0.907`	`0`	`0`	`0`	`0.000`
33	`37`		[SO4]B:101	`2`	`1`	`186`	`◊`	B	x-1/2,y-1/2,z-1	`3_444`	`2`	`1`	`1161`	`6.0`	`-0.7`	`0.806`	`0`	`0`	`0`	`0.000`
34	`38`		B	`1`	`1`	`1161`	`◊`	A	x-1/2,y-1/2,z	`3_445`	`1`	`1`	`1109`	`5.2`	`0.4`	`0.905`	`0`	`0`	`0`	`0.000`
35	`39`		B	`3`	`1`	`1161`	`◊`	[SO4]B:101	-x+2,y-1,-z+2	`2_747`	`1`	`1`	`186`	`4.2`	`-0.5`	`0.780`	`0`	`0`	`0`	`0.000`
36	`40`		B	`1`	`1`	`1161`	`◊`	A	x,y-1,z-1	`1_544`	`1`	`1`	`1109`	`3.9`	`-0.1`	`0.560`	`0`	`0`	`0`	`0.000`
37	`41`		A	`1`	`1`	`1109`	`x`	A	-x+2,y-1,-z+3	`2_748`	`2`	`1`	`1109`	`2.2`	`-0.1`	`0.667`	`0`	`0`	`0`	`0.000`
38	`42`		[SO4]A:101	`1`	`1`	`186`	`x`	[SO4]A:101	-x+5/2,y-1/2,-z+2	`4_747`	`1`	`1`	`186`	`0.2`	`-0.1`	`1.000`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe