Table S3. Percentages of observation of various
hydrogen-acceptors from cysteine in the Single dataset and in the nine
subsets of the Protein Data Bank generated with the RaSPDB procedure.
The average values (with estimated standard errors in parentheses) are
computed on these nine subsets.
Atom |
Dataset |
Dataset |
Dataset |
Dataset |
Dataset |
Dataset |
Dataset |
Dataset |
Dataset |
Dataset |
Dataset |
|
Single |
raspb_1 |
raspb_2 |
raspb_3 |
raspb_4 |
raspb_5 |
raspb_6 |
raspb_7 |
raspb_8 |
raspb_9 |
Average-1-9 |
main-chain-O |
79.7 |
80.9 |
80.5 |
79.2 |
80.3 |
81.0 |
79.9 |
80.7 |
79.7 |
80.3 |
80.27(0.20) |
Ser-OG |
3.0 |
2.7 |
2.9 |
3.2 |
3.0 |
2.7 |
3.0 |
2.9 |
3.1 |
3.1 |
2.94(0.06) |
Thr-OG1 |
2.9 |
2.8 |
2.8 |
2.8 |
2.7 |
3.1 |
2.7 |
2.7 |
2.9 |
2.8 |
2.80(0.04) |
Tyr-OH |
1.3 |
1.2 |
1.2 |
1.2 |
1.2 |
1.0 |
1.0 |
1.1 |
1.1 |
1.2 |
1.13(0.03) |
Asn-OD1 |
1.5 |
1.9 |
2.0 |
2.1 |
2.1 |
2.1 |
2.2 |
2.0 |
2.3 |
1.9 |
2.06(0.05) |
Gln-OE1 |
0.9 |
0.8 |
0.9 |
0.7 |
0.9 |
0.8 |
0.8 |
0.9 |
0.9 |
0.8 |
0.85(0.02) |
Asp-OD1-OD2 |
2.4 |
2.1 |
2.0 |
2.1 |
2.2 |
2.2 |
2.1 |
2.0 |
2.1 |
2.0 |
2.10(0.02) |
Glu-OE1-OE2 |
1.9 |
1.7 |
1.6 |
1.7 |
1.4 |
1.4 |
1.4 |
1.7 |
1.6 |
1.6 |
1.57(0.04) |
Cys-SG |
6.1 |
5.7 |
5.8 |
6.7 |
6.0 |
5.5 |
6.5 |
5.9 |
6.2 |
6.1 |
6.04(0.13) |
Met-SD |
0.3 |
0.3 |
0.2 |
0.3 |
0.2 |
0.2 |
0.3 |
0.3 |
0.2 |
0.2 |
0.25(0.01) |
HOH-O |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.00(0.00) |