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. 2023 May 15;12:e82593. doi: 10.7554/eLife.82593

Table 3. Comparing RaSP predictions from crystal and AlphaFold 2 (AF2) structures.

Pearson correlation coefficients (ρ) between RaSP ΔΔG predictions using either two different crystal structures or a crystal structure and an AlphaFold 2 structure for six test proteins: PRMT5 (X1: 6V0P_A, X2: 4GQB_A), PKM (X1: 6B6U_A, X2: 6NU5_A), FTH1 (X1: 4Y08_A, X2: 4OYN_A), FTL (X1: 5LG8_A, X2: 2FFX_J), PSMA2 (X1: 5LE5_A, X2: 5LE5_O) and GNB1 (X1: 6CRK_B, X2: 5UKL_B). We also divided the analysis into residues with high (pLDDT ≥ 0.9) and medium-low (pLDDT <0.9) pLDDT scores from AlphaFold 2.

Protein All [ρ] High AF2 pLDDT [ρ] Medium-Low AF2 pLDDT [ρ]
X1-X2 X1-AF2 X2-AF2 X1-X2 X1-AF2 X2-AF2 X1-X2 X1-AF2 X2-AF2
PRMT5 0.93 0.89 0.95 - 0.90 0.95 - 0.66 0.89
PKM 0.99 0.95 0.95 - 0.95 0.95 - 0.88 0.89
FTH1 0.99 0.97 0.97 - 0.97 0.97 - 0.92 0.95
FTL 0.97 0.96 0.97 - 0.96 0.97 - 0.96 0.94
PSMA2 0.99 0.95 0.95 - 0.96 0.96 - 0.78 0.80
GNB1 0.96 0.94 0.94 - 0.94 0.94 - 0.93 0.89