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bioRxiv · 10.1101/2024.07.17.604018

OPUS-BFactor: Predicting protein B-factor with sequence and structure information

Xu, G.·Yang, Y.·Lv, Y.·Luo, Z.·Wang, Q.·Ma, J.
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Abstract

Protein B-factor, also known as the Debye-Waller factor, measures the fluctuation of an atom around its average position. It serves as a crucial indicator of protein flexibility and dynamics. However, accurately predicting the B-factor of C atoms remains challenging. In this work, we introduce OPUS-BFactor, a tool for predicting the normalized protein B-factor. OPUS-BFactor operates in two modes: the first mode, OPUS-BFactor-seq, uses sequence information as input, allowing predictions based solely on protein sequence; the second mode, OPUS-BFactor-struct, uses structural information, requiring the 3D structure of the target protein. Evaluation on three test sets, including recently released targets from CAMEO and CASP15, demonstrates that OPUS-BFactor significantly outperforms other B-factor prediction methods. Therefore, OPUS-BFactor is a valuable tool for predicting protein properties related to the B-factor, such as flexibility, thermal stability, and region activity.

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Xu, G., Yang, Y., Lv, Y., Luo, Z., Wang, Q., Ma, J.. 2024-07-19. OPUS-BFactor: Predicting protein B-factor with sequence and structure information. https://doi.org/10.1101/2024.07.17.604018

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