Table 1. Selection criteria for isoleucines.
| Selection parameter | Criterion |
|---|---|
| Experimental method | X-ray |
| Structure | Not N-terminal or C-terminal, not next to a terminus and not next to Gly, Pro or a noncanonical residue |
| Side-chain and backbone atoms | Not mentioned in the WHAT_CHECK (Hooft, Vriend et al., 1996 ▶) quality report calculated with the WHAT IF web service (Hekkelman et al., 2010 ▶)† |
| B factor, Cβ and backbone atoms | <60.0 Å2 or <2.5 × the average B factor over Cα |
| DSSP secondary structure | H, E or loop |
This extensive list of criteria is briefly explained at http://swift.cmbi.ru.nl/gv/isoleucine/. The criteria include, for example, atomic clashes, spurious covalent bonds, missing atoms etc.