Table 1.
Distributions of the structure- and sequence-based properties of homology model and experimental structure datasets
| Identity | # PDBs | # mutations | RSA | Residue depth | Secondary structure types | Secondary structure composition based on CATH | Change of residue volume | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Buried (%) | Exposed (%) | Deep (%) | Shallow (%) | Alpha helix (%) | Beta sheet (%) | Turn (%) | Random coil (%) | Mainly alpha (%) | Mainly beta (%) | Mixed alpha/beta (%) | L2S (%) | S2L (%) | S2S (%) | |||
| 15–25 | 58 | 819 | 50.06 | 49.94 | 54.70 | 45.30 | 35.90 | 27.35 | 5.62 | 21.12 | 20.27 | 27.84 | 51.89 | 38.1 | 14.41 | 47.50 |
| 25–35 | 81 | 1143 | 59.14 | 40.86 | 57.66 | 42.34 | 30.45 | 39.28 | 6.39 | 15.31 | 15.84 | 25.11 | 56.78 | 36.83 | 15.05 | 48.12 |
| 35–45 | 86 | 1421 | 53.27 | 46.73 | 54.61 | 45.39 | 31.60 | 31.39 | 8.94 | 17.38 | 32.09 | 21.25 | 44.83 | 35.61 | 16.40 | 47.99 |
| 45–55 | 65 | 1078 | 53.62 | 46.38 | 55.29 | 44.71 | 28.01 | 34.14 | 9.18 | 15.40 | 28.39 | 21.11 | 49.75 | 35.06 | 16.33 | 48.61 |
| 55–65 | 64 | 995 | 57.79 | 42.21 | 52.76 | 47.24 | 27.14 | 34.47 | 8.74 | 18.09 | 28.64 | 21.11 | 49.75 | 29.55 | 19.70 | 50.75 |
| 65–75 | 47 | 931 | 51.34 | 48.66 | 50.27 | 49.73 | 29.75 | 29.22 | 9.67 | 17.62 | 35.45 | 26.10 | 35.66 | 36.31 | 15.04 | 48.66 |
| 75–85 | 42 | 918 | 53.38 | 46.62 | 56.10 | 43.90 | 38.24 | 30.17 | 5.34 | 17.21 | 32.24 | 20.48 | 46.73 | 33.66 | 16.23 | 50.11 |
| 85–95 | 56 | 1573 | 47.36 | 52.64 | 47.23 | 52.77 | 33.76 | 29.94 | 8.26 | 17.36 | 23.9 | 44.88 | 28.10 | 37.19 | 15.58 | 47.23 |
| 100 | 124 | 2492 | 50.76 | 49.24 | 61.16 | 38.84 | 32.95 | 30.82 | 10.23 | 15.25 | 26.12 | 33.15 | 38.56 | 38.32 | 14.69 | 46.99 |