Table 3.
Atom | Range of radii (Å) | Number of sizes tested |
---|---|---|
H | 0.90–1.10 | 5 |
N | 1.25–1.60 | 8 |
O | 1.10–1.55 | 10 |
C | 1.30–2.00 | 15 |
C′ | 1.30–1.75 | 10 |
For each combination of atom sizes (using increments of 0.05 Å), we calculated the interatomic distances of nonbonded atoms to determine steric clashes.