Table S4. Percentages of observation of various hydrogen-donors
to 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 |
raspdb_1 |
raspdb_2 |
raspdb_3 |
raspdb_4 |
raspdb_5 |
raspdb_6 |
raspdb_7 |
raspdb_8 |
raspdb_9 |
Average-1-9 |
main-chain-N |
39.7 |
39.6 |
39.5 |
40.4 |
42.2 |
39.5 |
38.8 |
38.1 |
38.6 |
38.6 |
39.47(0.42) |
Ser-OG |
3.0 |
3.0 |
3.3 |
3.6 |
3.4 |
3.2 |
3.4 |
3.4 |
3.0 |
3.1 |
3.27(0.07) |
Thr-OG1 |
2.5 |
2.4 |
2.6 |
2.3 |
2.2 |
2.7 |
2.8 |
2.4 |
2.5 |
2.5 |
2.48(0.06) |
Tyr-OH |
0.5 |
0.6 |
0.8 |
0.7 |
0.7 |
0.5 |
0.4 |
0.5 |
0.6 |
0.6 |
0.61(0.04) |
Asn-ND2 |
0.6 |
0.4 |
0.3 |
0.3 |
0.4 |
0.4 |
0.3 |
0.3 |
0.5 |
0.5 |
0.39(0.03) |
Gln-NE2 |
0.5 |
0.7 |
0.8 |
0.7 |
0.4 |
0.7 |
0.6 |
0.6 |
0.6 |
0.6 |
0.63(0.03) |
His-ND1-NE2 |
0.6 |
0.6 |
0.6 |
0.4 |
0.6 |
0.5 |
0.6 |
0.6 |
0.5 |
0.5 |
0.53(0.03) |
Trp-NE1 |
0.2 |
0.5 |
0.6 |
0.5 |
0.5 |
0.5 |
0.5 |
0.5 |
0.5 |
0.5 |
0.51(0.01) |
Arg-NE-NH1-MH2 |
1.2 |
1.2 |
1.2 |
1.1 |
1.1 |
1.1 |
1.3 |
1.3 |
1.0 |
1.0 |
1.17(0.04) |
Lys-NZ |
14.3 |
12.2 |
12.8 |
13.7 |
12.3 |
12.5 |
14.0 |
13.4 |
13.6 |
13.8 |
13.15(0.23) |
Cys-SG |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.0 |
0.00(0.00) |
HOH-O |
36.9 |
38.8 |
37.6 |
36.2 |
36.1 |
38.3 |
37.3 |
38.9 |
38.5 |
38.4 |
37.79(0.36) |