Table 1.
Grid sizes in λ(1), λ(2), the significant χ angles (involving rotation of non-hydrogen atoms), and the numbers of grid points for the 19 natural amino-acid residues with side chains (glycine is excluded because it does not have a side chain). The amino-acid residues are grouped according to the number of significant χ angles.
| Grid size (degrees) |
||||||||
|---|---|---|---|---|---|---|---|---|
| n χ a | λ (1) | λ (2) | χ 1 | χ 2 | χ 3 | χ 4 | Residue(s) | Ngridb |
| 0 | – | 30 | – | – | – | – | Pro | 12 |
| 30 | 30 | – | – | – | – | Ala | 144 | |
|
| ||||||||
| 1 | 30 | 30 | 30 | – | – | – | Cys, Ser, Thr, Val | 1728 |
|
| ||||||||
| 2 | 30 | 30 | 30 | 30 | – | – | Asn, Asp, His, Ile, Leu, Phe, Trp, Tyr | 20736 |
|
| ||||||||
| 3 | 30 | 30 | 30 | 30 | 60 | – | Glu, Gln, Met | 124416 |
|
| ||||||||
| 4 | 30 | 30 | 30 | 60 | 120 | 120 | Arg, Lys | 93312 |
a
Number of significant χ angles.
b
Number of grid points.