TMP- SSurface2: A Novel Deep Learning-Based Surface Accessibility Predictor for Transmembrane Protein Sequence

Transmembrane protein (TMP) is an important type of membrane protein that is involved in various biological membranes related biological processes. As major drug targets, TMPs’ surfaces are highly concerned to form the structural biases of their material-bindings for drugs or other biological molecules. However, the quantity of determinate TMP structures is still far less than the requirements, while artificial intelligence technologies provide a promising approach to accurately identify the TMP surfaces, merely depending on their sequences without any feature-engineering. For this purpose, we present an updated TMP surface residue predictor TMP-SSurface2 which achieved an even higher prediction accuracy compared to our previous version. The method uses an attention-enhanced Bidirectional Long Short Term Memory (BiLSTM) network, benefiting from its efficient learning capability, some useful latent information is abstracted from protein sequences, thus improving the Pearson correlation coefficients (CC) value performance of the old version from 0.58 to 0.66 on an independent test dataset. The results demonstrate that TMP-SSurface2 is efficient in predicting the surface of transmembrane proteins, representing new progress in transmembrane protein structure modeling based on primary sequences. TMP-SSurface2 is freely accessible at https://github.com/NENUBioCompute/TMP-SSurface-2.0.