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Molecular dynamic simulations (MDS) of XynAS9 and its mutant V81P/G82E/D185P/S186E with NAMD at 300 K and 400 K, respectively (Fig. S1); SDS-PAGE analysis of purified and deglycosylated XynAS9 and its mutants (Fig. S2); structural changes between wild-type XynAS9 and mutants V81P/G82E and V81P/G82E/D185P/S186E at 400 K based on MDS analysis with beams of 1 ns, 2 ns, and 5 ns, respectively (Fig. S3); putative hydrogen bonds in wild-type XynAS9 and its mutants V81P/G82E and D185P/S186E predicted using Swiss-PdbViewer 4.0.4 (Fig. S4); interactions of mutant G82E with other surrounding residues predicted by Swiss-PdbViewer 4.0.4 (Fig. S5); docking results of xylohexaose with XynAS9 and its mutant V81P/G82E (Fig. S6); MDS analysis of XynAS9 and its mutants with Gromacs at 400 K (Fig. S7); primers used in this study (Table S1).
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