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)