Table S1. Nucleophilic atom types that form chalcogen bonds
with the cysteine SG atom in the single dataset and in the nine subsets
of the Protein Data Bank generated with the RaSPDB procedure. The
average values (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-O |
69.9 |
65.1 |
64.3 |
63.5 |
63.6 |
63.6 |
65.6 |
67.1 |
60.9 |
62.2 |
64.0(0.6) |
Ser-O |
1.0 |
0.0 |
0.0 |
1.1 |
0.6 |
0.9 |
1.2 |
1.7 |
1.4 |
1.2 |
0.9(0.2) |
Thr-O |
0.6 |
0.6 |
0.6 |
0.3 |
0.0 |
1.2 |
1.5 |
0.6 |
1.1 |
0.6 |
0.7(0.2) |
Tyr-O |
1.9 |
1.6 |
1.7 |
2.2 |
2.2 |
2.6 |
1.2 |
1.7 |
2.0 |
3.2 |
2.0(0.2) |
Asn-OD1 |
3.0 |
3.1 |
3.5 |
1.9 |
3.6 |
2.9 |
3.2 |
2.5 |
3.4 |
4.0 |
3.1(0.2) |
Gln-OE1 |
1.4 |
0.9 |
1.2 |
1.7 |
0.6 |
1.2 |
1.8 |
1.4 |
2.0 |
1.4 |
1.3(0.1) |
Asp-OD1-OD2 |
5.3 |
8.4 |
8.9 |
7.8 |
10.2 |
8.4 |
8.2 |
7.0 |
10.6 |
9.5 |
8.8(0.4) |
Gln-OE1-OE2 |
4.8 |
4.0 |
4.6 |
6.1 |
3.6 |
3.8 |
4.7 |
4.2 |
4.0 |
3.7 |
4.3(0.3) |
Cys-SG |
4.2 |
5.3 |
4.9 |
3.1 |
5.5 |
4.3 |
3.8 |
4.5 |
3.7 |
5.2 |
4.5(0.3) |
Met-SD |
7.1 |
9.3 |
9.2 |
10.0 |
8.8 |
9.2 |
8.2 |
7.5 |
9.5 |
7.8 |
8.9(0.3) |
HOH-O |
0.8 |
1.6 |
1.2 |
2.2 |
1.4 |
2.0 |
0.6 |
1.9 |
1.1 |
1.2 |
1.5(0.2) |