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Figure 2
Default weighting of reference-model distance restraints in ISOLDE according to min[PAE(i, j), PAE(j, i)]. Here d0 is the distance in the template between a given restrained atom pair and d is the current instantaneous distance in the working model. No restraints are formed between pairs of residues with mutual PAE values greater than 4 Å. The most important outcome of this is that it avoids the introduction of spurious restraints in the somewhat common scenario where AlphaFold places domains with no real-world interaction in close proximity due to random chance.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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