Table 2 |
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Sets of folds confused by both VAST and SHEBA. |
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Sets of confused folds, S |
Number of domains in S |
Sheba FPRS (%) |
Sheba TPRS (%) |
Sheba FPRS/TPRS (%) |
Vast FPRS (%) |
Vast TPRS (%) |
Vast FPRS/TPRS (%) |
Explanation for confusion |
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1 |
a.28, a.39 |
50 |
29 |
57 |
51 |
10 |
16 |
64 |
4 helix bundle up-and-down (a.28), and 4 helix array of 2 hairpins folds. Confusion is caused by match of helices oriented similarly. Folds confused mostly by SHEBA. |
|
2 |
a.46, a.52 |
9 |
45 |
97 |
46 |
7 |
36 |
20 |
4 helix bundle left and right-handed super helix (a.46), and 4 helix right-handed super helix folds. Confusion is caused by match of helices oriented similarly. Folds confused mostly by SHEBA. |
|
3 |
a.47, a.7 |
24 |
87 |
88 |
98 |
8 |
20 |
40 |
3 helix bundle (a.7) and 4 helix bundle (a.47) folds. Confusion due to match of very similar structure. Folds confused mostly by SHEBA. |
|
4 |
b.68, b.69, b.66, b.67, b.70 |
45 |
92 |
98 |
94 |
40 |
83 |
48 |
Beta-propellers (repetitive 4-stranded blades) folds, of 4, 5, 6, 7 or 8 blades depending on the fold. Confusion is caused by match of several 4-stranded blades among domains of these folds. |
|
5 |
b.1, b.2, b.3, b.7, b.12. |
297 |
19 |
66 |
29 |
32 |
68 |
48 |
Beta sandwich folds of 7, 8, 9 stranded-sheet, with Greek-key topology. The motif causing the confusion among folds is a sandwich, which is rather well matched between domains of these folds. |
|
6 |
b.24, b.71 |
24 |
69 |
97 |
72 |
27 |
93 |
29 |
Sandwich fold, with 10 strands in 2 sheets, and "folded meander topology" fold (b.24), and folded sheet with Greek-key topology. Confusion is due to match of parts of the sheets of the common core of these folds. |
|
7 |
b.60, b.61 |
30 |
63 |
90 |
70 |
57 |
78 |
74 |
Closed barrel, with meander topology. Confusion caused by good match of between barrel motifs of the common core. |
|
8 |
b.43, b.49, b.58, b.44 |
39 |
42 |
71 |
59 |
32 |
72 |
44 |
Folds of closed barrel with Greek-key topology. Confusion is due the match of substantial part of the barrel common core, among domains of these folds. |
|
9 |
b.107, b.4 |
4 |
100 |
100 |
100 |
25 |
100 |
25 |
Sandwich fold (b.4), and closed barrel fold (b.107). Confusion is caused by the good match between a deformed barrel motif and a sandwich motif. |
|
10 |
b.34, b.38 |
62 |
69 |
67 |
103 |
19 |
49 |
39 |
Barrel folds, with meander topology. Confusion is caused by the match between the barrel common cores. |
|
11 |
b.38, b.56 |
12 |
52 |
100 |
52 |
65 |
93 |
70 |
Open barrel (b.38) and closed barrel (b.56) folds. Confusion is caused by the match of the barrel. |
|
12 |
b.10, b.19, b.13, b.18, b.22, b.23 |
91 |
42 |
76 |
55 |
16 |
54 |
29 |
Folds with common core motif of beta sandwich; the 2 sheets are made of 8, 9 or 10 strands depending on the fold, and with jelly roll topology. The confusion among these folds is caused by the match of the strands of the beta sandwich common core. |
|
13 |
c.1, c.6 |
185 |
62 |
75 |
83 |
78 |
87 |
90 |
TIM barrel (c.1) and variant of beta/alpha barrel, with closed parallel beta-sheet barrel (c.6) folds. Confusion is caused by the match of almost the whole TIM barrel. |
|
14 |
c.8, c.98 |
14 |
50 |
75 |
68 |
30 |
54 |
56 |
3 layer beta/beta/alpha (c.8) and 3 layer alpha/beta/alpha (c.98) folds. Confusion is caused by the match between common beta/alpha layers. |
|
15 |
c.84, c.95 |
19 |
65 |
91 |
71 |
55 |
92 |
60 |
3 layer alpha/beta/alpha of 4 strands (c.84), and of 5 strands (c.95) folds. Match of the 3 layer alpha/beta/alpha common core causes the confusion. |
|
16 |
c.101, c.73, c.27 |
7 |
11 |
100 |
11 |
49 |
100 |
49 |
3 layer alpha/beta/alpha folds, with 5, 6 or 8 strands depending on the fold. Confusion is caused by the match of the 3 layer alpha/beta/alpha common core. |
|
17 |
c.100, c.28, c.25, c.24, c.30, c.78, c.108, c.116, c.31, c.114, c.3, c.4, c.49, c.59, c.16, c.57, c.44, c.48, c.2, c.33, c.32, c.34, c.23, c.62, c.65, c.5 |
334 |
24 |
80 |
31 |
51 |
92 |
56 |
3 layer alpha/beta/alpha folds, with beta sheet of 4, 5, 6 or 7 strands depending of the fold. 3 layer beta/beta/alpha with central of 5 strands for c.3. Confusion among 3 layer alpha/beta/alpha folds is caused by the match of the 3 layer alpha/beta/alpha common core. Confusion between 3 layer alpha/beta/alpha and beta/beta/alpha is caused by the match of the 2 layer beta/alpha. |
|
18 |
d.13, d.173 |
7 |
26 |
93 |
28 |
43 |
86 |
50 |
Fold containing the 3 layer alpha/beta/alpha common core (d.130 and unusual fold containing a common core of beta-alpha-beta-alpha-beta-alpha-beta (d.173). Confusion caused by the match of some strands and helices. |
|
19 |
d.65, d.67 |
7 |
47 |
46 |
102 |
60 |
64 |
93 |
2 layer alpha/beta sandwich fold. Confusion caused by the match of 2 layer alpha/beta sandwich common core. |
|
20 |
d.181, d.212 |
5 |
50 |
60 |
83 |
17 |
60 |
28 |
Folds containing beta-alpha-beta units. Confusion caused by match on the alpha/beta layers. |
|
21 |
d.10, d.50 |
14 |
34 |
66 |
51 |
40 |
61 |
66 |
2 layer alpha/beta folds. Confusion caused by match on the 2 layer alpha/beta common cores. |
|
22 |
d.140, d.68 |
12 |
34 |
68 |
51 |
40 |
52 |
77 |
Fold with 2 layer beta/alpha sandwich common core. Confusion is caused by match of the 2 layer beta/alpha sandwich. |
|
23 |
d.151, d.160 |
7 |
75 |
100 |
75 |
58 |
100 |
58 |
Beta-sandwich; duplication of alpha+beta (d.151), 4 layers: alpha/beta/beta/alpha; mixed beta sheets (d.160) folds. Confusion due to match of the alpha beta sandwich. |
|
24 |
d.95, d.206, d.64 |
12 |
18 |
96 |
18 |
34 |
79 |
43 |
2 layer alpha/beta sandwich folds. Confusion caused by the match of the 2 layer alpha/beta sandwich. |
|
25 |
d.11, d.40 |
5 |
100 |
100 |
100 |
67 |
100 |
67 |
2 layer alpha/beta sandwich folds. Confusion caused by match of the 2 layer alpha/beta sandwich. |
|
26 |
d.130, d.80, d.52 |
19 |
53 |
90 |
59 |
51 |
62 |
82 |
2 layer alpha/beta sandwich folds. Confusion is caused by the match of the 2 layer alpha/beta sandwich. |
|
27 |
d.45, d.74, d.58, d.51, d.94, d.141, d.105 |
160 |
43 |
58 |
74 |
48 |
59 |
81 |
2 layer alpha/beta sandwich, and two beta-sheets and one alpha-helix packed around single core (d.141) folds. Confusion caused by match of the sheet and strands of the 2 layer alpha/beta sandwich core motif. |
|
28 |
e.24, c.16, c.57, c.44, c.23, c.5 |
79 |
47 |
73 |
64 |
68 |
85 |
80 |
A domain component of a "multi-domain" domain of fold e.24 can matches the full domain of another fold which does not belong to the E class |
|
29 |
e.4, c.48, c.2, c.32, c.33, c.34, c.23 |
178 |
35 |
74 |
48 |
74 |
87 |
85 |
A domain component of a "multi-domain" domain of fold e.4 matches the full domain of another fold which does not belong to the E class |
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Clusters of confused folds in VAST and SHEBA heat maps are reported. Rows 1 to 27 are intra-class clusters of confused folds found along the diagonal of the heat map. Only confusions in classes A, B, C and D are reported. Rows 28 and 29 are two off-diagonal clusters involving multi domains. Clusters and confused folds are listed in the order of appearance in the heat map. The heat maps of both methods obtained at 1% overall FPR were used to determined these clusters. Column 3 is the total number of domains within the set S. Columns 4 to 6 report the FPRS, TPRS (see Methods) and their ratios (in bold), for SHEBA, respectively, similarly, columns 7 to 9, report FPRS, TPRS and their ratios (in bold), for VAST, respectively. |
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Sam et al. BMC Bioinformatics 2006 7:206 doi:10.1186/1471-2105-7-206 |
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