Table 1.
Coordination numbers of amino acids in different secondary structural environments for RC = 6.5 Å
| Amino acid | α-Helix (α) | β-Strand (β) | Coil (C) |
|---|---|---|---|
| ALA | 6.59 (1.38) | 6.16 (1.26) | 6.18 (1.31) |
| ARG | 6.07 (1.34) | 6.04 (1.33) | 6.13 (1.25) |
| ASN | 6.35 (1.40) | 6.26 (1.10) | 6.13 (1.34) |
| ASP | 6.33 (1.22) | 6.16 (1.28) | 6.12 (1.28) |
| CYS | 6.51 (1.22) | 6.26 (1.24) | 6.26 (1.35) |
| GLN | 6.17 (1.26) | 6.30 (1.28) | 6.19 (1.23) |
| GLU | 6.22 (1.17) | 6.24 (1.22) | 6.18 (1.26) |
| GLY | 6.41 (1.46) | 5.90 (1.34) | 5.80 (1.30) |
| HIS | 6.15 (1.24) | 6.33 (1.26) | 6.01 (1.26) |
| ILE | 6.38 (1.35) | 5.99 (1.31) | 5.97 (1.26) |
| LEU | 6.48 (1.37) | 6.27 (1.24) | 6.27 (1.28) |
| LYS | 6.07 (1.17) | 6.07 (1.27) | 6.02 (1.50) |
| MET | 6.31 (1.28) | 6.12 (1.19) | 6.21 (1.25) |
| PHE | 6.13 (1.32) | 6.15 (1.27) | 6.07 (1.37) |
| PRO | 5.95 (1.15) | 5.93 (1.27) | 5.84 (1.32) |
| SER | 6.39 (1.33) | 6.05 (1.39) | 5.98 (1.24) |
| THR | 6.58 (1.36) | 6.05 (1.20) | 6.17 (1.27) |
| TRP | 5.72 (1.26) | 5.76 (1.38) | 5.61 (1.28) |
| TYR | 6.17 (1.29) | 6.15 (1.24) | 6.05 (1.28) |
| VAL | 6.59 (1.38) | 6.15 (1.28) | 6.19 (1.30) |
The coordinate number qi (i = 1, 60) is calculated as the number of non-nearest neighbor contacts formed by a buried residue of type i averaged over 407 protein domain structures. A residue is considered buried if more than 95% of its surface area becomes inaccessible to solvent when the protein is folded. Values in parentheses are the SDs.