Table 5.
Prediction of disulfide bonds in 15 structures with known engineered disulfide bonds
| PDB ID | Mutation a | MAESTRO | MAESTRO-Score | Salam et al. | |||
|---|---|---|---|---|---|---|---|
| Abs.Rank | Rel.Rank | Abs.Rank | Rel.Rank | Abs.Rank | Rel.Rank | ||
| 1FG9 | Glu7:A–Ser69:A | 1 | 0.04 | 0 | 0.00 | 15 | 0.71 |
| 1LMB | Tyr88:3–Tyr88:4 | 10 | 0.20 | 9 | 0.18 | 32 | 0.48 |
| 1RNB | Ala43–Ser80 | 2 | 0.03 | 9 | 0.14 | 3 | 0.07 |
| 1RNB | Ser85–His102 | 33 | 0.52 | 40 | 0.63 | 0 | 0.00 |
| 1SNO | Gly79–Asn118 | 3 | 0.04 | 4 | 0.05 | 22 | 0.34 |
| 1XNB | Ser100–Asn148 | 1 | 0.01 | 13 | 0.10 | 8 | 0.08 |
| 2CBA | Leu60–Ser173 | 66 | 0.45 | 68 | 0.46 | 55 | 0.47 |
| 2CI2 | Thr22–Val82 | 5 | 0.18 | 4 | 0.14 | 0 | 0.00 |
| 2LZM | Ile9–Leu164 | 31 | 0.44 | 38 | 0.54 | 13 | 0.21 |
| 2RN2 | Cys13–Asn44 | 14 | 0.16 | 21 | 0.24 | 25 | 0.33 |
| 2ST1 | Thr22–Ser87 | 37 | 0.16 | 30 | 0.13 | 44 | 0.23 |
| 3GLY | Asn20–Ala27 | 104 | 0.39 | 163 | 0.62 | 187 | 0.82 |
| 3GLY | Thr246–Cys320 | 35 | 0.13 | 34 | 0.13 | 19 | 0.08 |
| 4DFR | Pro39–Cys85 | 11 | 0.10 | 11 | 0.10 | 16 | 0.13 |
| 9RAT | Ala4–Val118 | 8 | 0.15 | 10 | 0.19 | 25 | 0.68 |
| Average | 2 4 | 0 . 2 0 | 3 0 | 0 . 2 4 | 3 1 | 0 . 3 1 | |
| Median | 1 1 | 0 . 1 6 | 1 3 | 0 . 1 4 | 1 9 | 0 . 2 3 | |
Abs.Rank: absolute rank, Rel.Rank: relative rank. aThe letter or digit after the colon denotes the chain(s) used in case of multi-chain PDB entries.