PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=385-01-016)

Interfaces in PDB 3vcd crystal.
Space symmetry group: H 3 2. Resolution: 2.35 Å

COMPUTATIONALLY DESIGNED SELF-ASSEMBLING OCTAHEDRAL CAGE PROTEIN, O333, CRYSTALLIZED IN SPACE GROUP R32

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`		G	`86`	`23`	`8556`	`x`	G	-y,x-y,z	`2_555`	`81`	`23`	`8556`	`785.8`	`-11.8`	`0.166`	`12`	`0`	`0`	`0.313`
	`2`		B	`85`	`23`	`8656`	`x`	A	x,y,z	`1_555`	`81`	`23`	`8599`	`778.8`	`-12.3`	`0.145`	`12`	`0`	`0`	`0.313`
	`3`		C	`78`	`23`	`8464`	`x`	A	x,y,z	`1_555`	`90`	`24`	`8599`	`778.4`	`-11.8`	`0.155`	`12`	`0`	`0`	`0.313`
	`4`		C	`87`	`23`	`8464`	`x`	B	x,y,z	`1_555`	`75`	`23`	`8656`	`771.3`	`-11.8`	`0.149`	`11`	`2`	`0`	`0.313`
	`5`		F	`84`	`23`	`8585`	`x`	E	x,y,z	`1_555`	`81`	`23`	`8503`	`768.7`	`-11.8`	`0.155`	`11`	`0`	`0`	`0.313`
	`6`		F	`81`	`23`	`8585`	`x`	D	x,y,z	`1_555`	`86`	`24`	`8582`	`765.3`	`-12.4`	`0.139`	`12`	`0`	`0`	`0.313`
	`7`		H	`83`	`24`	`8509`	`x`	H	-y,x-y,z	`2_555`	`83`	`23`	`8509`	`762.3`	`-12.4`	`0.121`	`12`	`0`	`0`	`0.313`
	`8`		E	`82`	`21`	`8503`	`x`	D	x,y,z	`1_555`	`76`	`22`	`8582`	`733.5`	`-12.0`	`0.157`	`12`	`0`	`0`	`0.313`
	*Average:*													`768.0`	`-12.0`	`0.148`	`12`	`0`	`0`	`0.313`
2	`9`		G	`47`	`17`	`8556`	`◊`	E	x,y,z	`1_555`	`51`	`18`	`8503`	`489.4`	`-9.9`	`0.075`	`7`	`0`	`0`	`0.180`
	`10`		F	`49`	`17`	`8585`	`◊`	C	x,y,z	`1_555`	`50`	`18`	`8464`	`485.3`	`-9.2`	`0.100`	`7`	`0`	`0`	`0.180`
	`11`		A	`48`	`18`	`8599`	`◊`	D	-y,x-y,z	`2_555`	`51`	`18`	`8582`	`475.6`	`-9.6`	`0.097`	`7`	`0`	`0`	`0.180`
	`12`		H	`50`	`18`	`8509`	`◊`	B	x,y,z	`1_555`	`49`	`17`	`8656`	`472.9`	`-9.1`	`0.106`	`7`	`0`	`0`	`0.180`
	*Average:*													`480.8`	`-9.5`	`0.095`	`7`	`0`	`0`	`0.180`
3	`13`		B	`49`	`16`	`8656`	`◊`	B	-x+2/3,-x+y+1/3,-z+1/3	`12_555`	`48`	`16`	`8656`	`408.0`	`-0.4`	`0.782`	`4`	`0`	`0`	`0.009`
4	`14`		D	`38`	`10`	`8582`	`◊`	C	-y+1,x-y,z	`2_655`	`35`	`14`	`8464`	`332.4`	`2.2`	`0.912`	`6`	`7`	`0`	`0.007`
5	`15`		H	`29`	`8`	`8509`	`◊`	B	-x+2/3,-x+y+1/3,-z+1/3	`12_555`	`30`	`10`	`8656`	`281.0`	`0.3`	`0.785`	`1`	`0`	`0`	`0.001`
6	`16`		G	`33`	`11`	`8556`	`◊`	D	y+1/3,x-1/3,-z+2/3	`16_545`	`35`	`13`	`8582`	`267.5`	`-1.2`	`0.682`	`1`	`1`	`0`	`0.000`
7	`17`		E	`22`	`7`	`8503`	`◊`	C	x,y,z	`1_555`	`20`	`6`	`8464`	`184.1`	`-1.2`	`0.585`	`3`	`0`	`0`	`0.034`
	`18`		C	`22`	`7`	`8464`	`◊`	D	-y,x-y,z	`2_555`	`18`	`6`	`8582`	`169.9`	`-1.9`	`0.474`	`3`	`0`	`0`	`0.034`
	`19`		G	`16`	`5`	`8556`	`◊`	D	x,y,z	`1_555`	`22`	`8`	`8582`	`169.8`	`-1.9`	`0.465`	`3`	`0`	`0`	`0.034`
	`20`		F	`18`	`6`	`8585`	`◊`	B	x,y,z	`1_555`	`22`	`7`	`8656`	`164.6`	`-1.6`	`0.508`	`2`	`0`	`0`	`0.034`
	`21`		H	`20`	`6`	`8509`	`◊`	A	x,y,z	`1_555`	`21`	`7`	`8599`	`162.5`	`-2.0`	`0.458`	`3`	`0`	`0`	`0.034`
	`22`		A	`18`	`5`	`8599`	`◊`	F	-y,x-y,z	`2_555`	`19`	`7`	`8585`	`160.1`	`-1.8`	`0.458`	`3`	`0`	`0`	`0.034`
	`23`		E	`18`	`5`	`8503`	`◊`	G	-y,x-y,z	`2_555`	`19`	`7`	`8556`	`159.5`	`-1.9`	`0.460`	`3`	`0`	`0`	`0.034`
	*Average:*													`167.2`	`-1.8`	`0.487`	`3`	`0`	`0`	`0.034`
8	`24`		H	`19`	`7`	`8509`	`◊`	B	-y,x-y,z	`2_555`	`20`	`6`	`8656`	`162.2`	`-1.9`	`0.448`	`3`	`0`	`0`	`0.005`
9	`25`		[SO4]C:202	`5`	`1`	`185`	`f`	C	x,y,z	`1_555`	`15`	`9`	`8464`	`105.9`	`-16.3`	`0.782`	`5`	`0`	`0`	`0.270`
10	`26`		[SO4]A:202	`5`	`1`	`184`	`f`	A	x,y,z	`1_555`	`16`	`9`	`8599`	`102.0`	`-15.2`	`0.897`	`6`	`0`	`0`	`0.146`
11	`27`		[SO4]B:202	`5`	`1`	`186`	`f`	B	x,y,z	`1_555`	`15`	`9`	`8656`	`101.5`	`-14.6`	`0.899`	`6`	`0`	`0`	`0.157`
12	`28`		[SO4]G:202	`5`	`1`	`184`	`f`	G	x,y,z	`1_555`	`16`	`9`	`8556`	`100.1`	`-14.7`	`0.897`	`5`	`0`	`0`	`0.309`
13	`29`		[SO4]H:203	`5`	`1`	`185`	`f`	H	x,y,z	`1_555`	`15`	`9`	`8509`	`99.5`	`-14.3`	`0.889`	`4`	`0`	`0`	`0.179`
14	`30`		[SO4]F:203	`5`	`1`	`185`	`f`	F	x,y,z	`1_555`	`15`	`8`	`8585`	`98.5`	`-14.6`	`0.888`	`5`	`0`	`0`	`0.245`
15	`31`		[SO4]E:204	`5`	`1`	`185`	`f`	E	x,y,z	`1_555`	`18`	`10`	`8503`	`96.7`	`-14.9`	`0.841`	`5`	`0`	`0`	`0.312`
16	`32`		[SO4]D:203	`5`	`1`	`185`	`f`	D	x,y,z	`1_555`	`15`	`8`	`8582`	`94.7`	`-13.6`	`0.895`	`4`	`0`	`0`	`0.189`
17	`33`		E	`15`	`4`	`8503`	`◊`	E	y+1/3,x-1/3,-z+2/3	`16_545`	`14`	`4`	`8503`	`92.6`	`-1.2`	`0.496`	`0`	`0`	`0`	`0.011`
18	`34`		[SO4]H:204	`5`	`1`	`184`	`f`	H	x,y,z	`1_555`	`15`	`6`	`8509`	`90.7`	`-14.2`	`0.795`	`3`	`0`	`0`	`0.172`
19	`35`		[SO4]D:205	`5`	`1`	`186`	`f`	D	x,y,z	`1_555`	`15`	`5`	`8582`	`88.2`	`-13.3`	`0.802`	`1`	`0`	`0`	`0.169`
20	`36`		[SO4]C:201	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`13`	`6`	`8599`	`84.0`	`-11.1`	`0.873`	`3`	`0`	`0`	`0.102`
21	`37`		[SO4]F:202	`5`	`1`	`185`	`f`	D	x,y,z	`1_555`	`12`	`6`	`8582`	`81.4`	`-10.5`	`0.864`	`2`	`0`	`0`	`0.139`
22	`38`		[SO4]H:202	`5`	`1`	`186`	`◊`	B	-x+2/3,-x+y+1/3,-z+1/3	`12_555`	`12`	`5`	`8656`	`80.0`	`-10.6`	`0.843`	`1`	`0`	`0`	`0.100`
23	`39`		[SO4]E:203	`5`	`1`	`185`	`◊`	F	x,y,z	`1_555`	`9`	`5`	`8585`	`79.7`	`-10.2`	`0.667`	`2`	`0`	`0`	`0.051`
24	`40`		[SO4]H:201	`4`	`1`	`186`	`◊`	H	-y,x-y,z	`2_555`	`10`	`5`	`8509`	`75.5`	`-10.4`	`0.710`	`2`	`0`	`0`	`0.125`
25	`41`		[SO4]H:201	`5`	`1`	`186`	`f`	H	x,y,z	`1_555`	`11`	`6`	`8509`	`74.6`	`-10.7`	`0.722`	`2`	`0`	`0`	`0.129`
26	`42`		[SO4]D:201	`5`	`1`	`185`	`f`	D	x,y,z	`1_555`	`11`	`6`	`8582`	`73.0`	`-10.7`	`0.745`	`2`	`0`	`0`	`0.142`
27	`43`		[SO4]G:201	`5`	`1`	`186`	`f`	G	x,y,z	`1_555`	`10`	`6`	`8556`	`73.0`	`-10.6`	`0.739`	`2`	`0`	`0`	`0.209`
28	`44`		[SO4]F:202	`5`	`1`	`185`	`◊`	F	x,y,z	`1_555`	`11`	`6`	`8585`	`72.8`	`-10.5`	`0.725`	`1`	`0`	`0`	`0.050`
29	`45`		[SO4]H:202	`4`	`1`	`186`	`f`	H	x,y,z	`1_555`	`10`	`3`	`8509`	`72.1`	`-9.6`	`0.890`	`4`	`0`	`0`	`0.126`
30	`46`		[SO4]A:201	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`11`	`6`	`8599`	`71.5`	`-10.1`	`0.754`	`3`	`0`	`0`	`0.094`
31	`47`		[SO4]E:203	`5`	`1`	`185`	`f`	E	x,y,z	`1_555`	`11`	`6`	`8503`	`71.5`	`-10.4`	`0.750`	`2`	`0`	`0`	`0.206`
32	`48`		[SO4]F:201	`5`	`1`	`185`	`f`	F	x,y,z	`1_555`	`11`	`3`	`8585`	`71.5`	`-10.3`	`0.748`	`3`	`0`	`0`	`0.170`
33	`49`		[SO4]A:201	`4`	`1`	`185`	`◊`	B	x,y,z	`1_555`	`8`	`4`	`8656`	`71.2`	`-9.2`	`0.686`	`2`	`0`	`0`	`0.054`
34	`50`		[SO4]C:201	`5`	`1`	`186`	`◊`	C	x,y,z	`1_555`	`9`	`6`	`8464`	`69.4`	`-10.0`	`0.705`	`3`	`0`	`0`	`0.060`
35	`51`		G	`8`	`4`	`8556`	`◊`	[SO4]G:201	-y,x-y,z	`2_555`	`4`	`1`	`186`	`68.8`	`-8.4`	`0.669`	`2`	`0`	`0`	`0.169`
36	`52`		[SO4]B:201	`5`	`1`	`185`	`◊`	C	x,y,z	`1_555`	`7`	`4`	`8464`	`67.2`	`-7.8`	`0.823`	`1`	`0`	`0`	`0.044`
37	`53`		[SO4]B:201	`4`	`1`	`185`	`f`	B	x,y,z	`1_555`	`10`	`5`	`8656`	`66.8`	`-9.3`	`0.762`	`2`	`0`	`0`	`0.093`
38	`54`		[SO4]C:203	`5`	`1`	`186`	`f`	C	x,y,z	`1_555`	`8`	`4`	`8464`	`65.7`	`-8.7`	`0.742`	`1`	`0`	`0`	`0.134`
39	`55`		[SO4]B:203	`5`	`1`	`185`	`f`	B	x,y,z	`1_555`	`12`	`5`	`8656`	`63.3`	`-8.9`	`0.700`	`1`	`0`	`0`	`0.085`
40	`56`		C	`7`	`3`	`8464`	`◊`	A	-y+1,x-y+1,z	`2_665`	`12`	`5`	`8599`	`61.0`	`-0.2`	`0.599`	`1`	`0`	`0`	`0.003`
41	`57`		[SO4]D:202	`5`	`1`	`184`	`f`	D	x,y,z	`1_555`	`8`	`2`	`8582`	`58.5`	`-7.9`	`0.859`	`2`	`0`	`0`	`0.107`
42	`58`		D	`7`	`2`	`8582`	`◊`	[SO4]F:201	-y+1,x-y,z	`2_655`	`4`	`1`	`185`	`56.0`	`-7.1`	`0.836`	`1`	`0`	`0`	`0.037`
43	`59`		[SO4]D:201	`4`	`1`	`185`	`◊`	E	x,y,z	`1_555`	`6`	`4`	`8503`	`55.4`	`-6.7`	`0.666`	`2`	`0`	`0`	`0.035`
44	`60`		E	`6`	`1`	`8503`	`◊`	D	y+1/3,x-1/3,-z+2/3	`16_545`	`9`	`2`	`8582`	`54.4`	`0.1`	`0.659`	`1`	`0`	`0`	`0.001`
45	`61`		[SO4]E:202	`4`	`1`	`185`	`f`	E	y+1/3,x-1/3,-z+2/3	`16_545`	`6`	`3`	`8503`	`54.2`	`-7.2`	`0.733`	`1`	`0`	`0`	`0.139`
46	`62`		[SO4]D:204	`4`	`1`	`185`	`f`	D	x,y,z	`1_555`	`9`	`4`	`8582`	`53.7`	`-6.9`	`0.680`	`0`	`0`	`0`	`0.085`
47	`63`		[CL]H:205	`1`	`1`	`125`	`f`	H	x,y,z	`1_555`	`7`	`4`	`8509`	`53.5`	`-6.5`	`0.000`	`0`	`0`	`0`	`0.072`
48	`64`		[SO4]E:201	`5`	`1`	`185`	`◊`	E	x,y,z	`1_555`	`8`	`2`	`8503`	`50.0`	`-6.2`	`0.893`	`3`	`0`	`0`	`0.137`
49	`65`		[SO4]D:202	`4`	`1`	`184`	`◊`	C	-y+1,x-y,z	`2_655`	`6`	`4`	`8464`	`43.8`	`-5.3`	`0.837`	`1`	`0`	`0`	`0.028`
50	`66`		[SO4]E:201	`4`	`1`	`185`	`f`	[SO4]E:201	y+1/3,x-1/3,-z+2/3	`16_545`	`4`	`1`	`185`	`43.1`	`-9.8`	`0.998`	`0`	`0`	`0`	`0.100`
51	`67`		D	`6`	`3`	`8582`	`◊`	F	-y+1,x-y,z	`2_655`	`5`	`2`	`8585`	`43.0`	`1.3`	`0.895`	`1`	`0`	`0`	`0.000`
52	`68`		[SO4]D:202	`4`	`1`	`184`	`◊`	F	x,y,z	`1_555`	`5`	`3`	`8585`	`41.7`	`-4.2`	`0.915`	`2`	`0`	`0`	`0.023`
53	`69`		[SO4]E:201	`4`	`1`	`185`	`◊`	D	y+1/3,x-1/3,-z+2/3	`16_545`	`6`	`1`	`8582`	`38.4`	`-5.0`	`0.609`	`0`	`0`	`0`	`0.062`
54	`70`		[SO4]E:202	`4`	`1`	`185`	`◊`	E	x,y,z	`1_555`	`3`	`1`	`8503`	`37.4`	`-3.6`	`0.975`	`2`	`0`	`0`	`0.082`
55	`71`		[SO4]E:201	`4`	`1`	`185`	`◊`	D	x,y,z	`1_555`	`3`	`1`	`8582`	`30.7`	`-3.4`	`0.934`	`1`	`0`	`0`	`0.047`
56	`72`		[CL]H:205	`1`	`1`	`125`	`◊`	B	-x+2/3,-x+y+1/3,-z+1/3	`12_555`	`6`	`2`	`8656`	`21.9`	`-2.0`	`0.000`	`0`	`0`	`0`	`0.018`
57	`73`		[SO4]E:202	`3`	`1`	`185`	`◊`	D	x,y,z	`1_555`	`4`	`2`	`8582`	`21.7`	`-2.3`	`0.864`	`0`	`0`	`0`	`0.009`
58	`74`		H	`3`	`1`	`8509`	`◊`	B	x-y-1/3,-y+1/3,-z+1/3	`11_455`	`4`	`2`	`8656`	`19.6`	`0.2`	`0.735`	`0`	`0`	`0`	`0.000`
59	`75`		[SO4]E:201	`1`	`1`	`185`	`◊`	E	y+1/3,x-1/3,-z+2/3	`16_545`	`4`	`1`	`8503`	`10.6`	`-1.3`	`0.723`	`0`	`0`	`0`	`0.024`
60	`76`		F	`4`	`1`	`8585`	`◊`	[SO4]C:203	-y+1,x-y,z	`2_655`	`1`	`1`	`186`	`7.5`	`-1.1`	`0.671`	`0`	`0`	`0`	`0.000`
61	`77`		[SO4]D:204	`2`	`1`	`185`	`◊`	G	y+1/3,x-1/3,-z+2/3	`16_545`	`1`	`1`	`8556`	`6.6`	`-0.9`	`0.551`	`0`	`0`	`0`	`0.000`
62	`78`		H	`1`	`1`	`8509`	`◊`	C	-x+2/3,-x+y+1/3,-z+1/3	`12_555`	`1`	`1`	`8464`	`3.0`	`0.2`	`0.817`	`0`	`0`	`0`	`0.000`
63	`79`		F	`1`	`1`	`8585`	`◊`	C	-y+1,x-y,z	`2_655`	`1`	`1`	`8464`	`1.2`	`-0.0`	`0.538`	`0`	`0`	`0`	`0.000`
64	`80`		[SO4]E:202	`1`	`1`	`185`	`◊`	G	y+1/3,x-1/3,-z+2/3	`16_545`	`1`	`1`	`8556`	`0.5`	`-0.1`	`0.770`	`0`	`0`	`0`	`0.000`
65	`81`		[SO4]F:201	`1`	`1`	`185`	`◊`	C	x,y,z	`1_555`	`1`	`1`	`8464`	`0.4`	`-0.1`	`0.784`	`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