Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Soft disorder modulates the assembly path of protein complexes   We ordered the entire set of X-ray crystallographic structures in the Protein
Data Bank into hierarchies of progressive interactions involving identical or
very similar protein chains, obtaining 40 205 hierarchies of protein complexes
with an increasing number of partners. We then studied these hierarchies as a
proxy for assembly pathways in protein complex formation. The database was used
to show statistically that new interfaces, upon protein complex
oligomerization, tend to be observed on residues that have been characterized
as softly disordered (flexible, amorphous, or intrinsically disordered) in
simpler complexes, i.e. structures with fewer partners and preceding the newly
oligomerized complex in the hierarchy. Furthermore, we observe that the
location of soft disorder changes place in the sequence as the number of
partners increases. Our results unveil the existence of a general mechanism of
protein assembly involving soft disorder that modulates and orders the way
protein complexes are assembled. Since soft disorder regions are highly
correlated with interactions in protein complexes, this work highlights the
difficulty of predicting the structure of large protein complexes from
sequence, and underscores the importance of coupling soft disorder predictors
with the next generation of complex structure predictors. Finally, we
investigate the relationship between Alphafold2's structure prediction
confidence metric pLDDT on unbound structures and soft disorder, showing a
strong correlation between Alphafold2's low-confidence residues and the union
of all soft disorder regions observed throughout the interaction hierarchy,
paving the way for the use of the pLDDT metric as a proxy for interface
prediction and assembly paths.

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The categories of this paper are: comp-gas
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The categories of this paper are: bayes-an
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The categories of this paper are: math-ph
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The categories of this paper are: quant-ph
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The categories of this paper are: cs
0
The categories of this paper are: hep-ph
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The categories of this paper are: adap-org
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The categories of this paper are: mtrl-th
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The categories of this paper are: dg-ga
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The categories of this paper are: astro-ph
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The categories of this paper are: q-alg
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The categories of this paper are: cmp-lg
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The categories of this paper are: math
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The categories of this paper are: econ
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The categories of this paper are: eess
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The categories of this paper are: gr-qc