Skip to main content
. 2014 Mar 19;70(Pt 4):1037–1049. doi: 10.1107/S139900471400087X

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.