Extended Data Fig. 4: Correlation between the variance of residue–residue distances in CALVADOS simulations and the confidence of the relative positions of residue pairs in AlphaFold predictions.
From: Conformational ensembles of the human intrinsically disordered proteome
a–d, Standard deviation (s.d.) of intra-chain distances calculated from simulations (a,c) and AlphaFold predicted aligned errors (PAE) (b,d) for IDRs of nucleophosmin (UniProt ID P06748) (a,b) and transcription elongation factor SPT6 (UniProt ID Q7KZ85) (c,d). e–l, PAE as a function of s.d. for IDRs in proteins with UniProt IDs (e) P08621, (f) P06748, (g) Q5VUA4, (h) Q6PD62, (i) Q15648, (j) Q13148, (k) P98177, and (l) Q7KZ85. Pearson correlation coefficients, r, and linear fits (solid lines) are calculated for separations along the linear sequence, ∣i − j∣, in the range ∣i − j∣min ≤ ∣i − j∣ ≤ N, where ∣i − j∣min = 4 and N is the sequence length. m–t, Pearson r for the correlation between PAE and s.d. as a function of the shortest separation along the linear chain, ∣i − j∣min, included in the analysis; data are shown for IDRs in proteins with UniProt IDs (m) P08621, (n) P06748, (o) Q5VUA4, (p) Q6PD62, (q) Q15648, (r) Q13148, (s) P98177, and (t) Q7KZ85.
