Evaluating Protein Engineering Thermostability Prediction Tools Using an Independently Generated Dataset.


Abstract

Engineering proteins to enhance thermal stability is a widely utilized approach for creating industrially relevant biocatalysts. The development of new experimental datasets and computational tools to guide these engineering efforts remains an active area of research. Thus, to complement the previously reported measures of

Submission Details

ID: ztKv3cY94

Submitter: Stephanie Contreras

Submission Date: May 27, 2020, 12:11 p.m.

Version: 1

Publication Details
Huang P;Chu SKS;Frizzo HN;Connolly MP;Caster RW;Siegel JB,ACS Omega (2020) Evaluating Protein Engineering Thermostability Prediction Tools Using an Independently Generated Dataset. PMID:32258884
Additional Information

Study Summary

Number of data points 2652
Proteins Beta-glucosidase B
Unique complexes 52
Assays/Quantities/Protocols Experimental Assay: Tm ; Experimental Assay: T50 ; Computational Protocol: foldx_cis_bond ; Computational Protocol: foldx_helix_dipole ; Computational Protocol: foldx_backbone_clash ; Computational Protocol: foldx_torisional_clash ; Computational Protocol: foldx_mloop_entropy ; Computational Protocol: foldx_sloop_entropy ; Computational Protocol: foldx_entropy_mainchain ; Computational Protocol: foldx_entropy_sidechain ; Computational Protocol: foldx_Van_der_Waals_clashes ; Computational Protocol: foldx_Solvation_Hydrophobic ; Computational Protocol: foldx_Solvation_Polar ; Computational Protocol: foldx_Electrostatics ; Computational Protocol: foldx_Van_der_Waals ; Computational Protocol: foldx_Sidechain_Hbond ; Computational Protocol: foldx_Backbone_Hbond ; Computational Protocol: foldx_total_energy ; Computational Protocol: rosetta_rama_prepro ; Computational Protocol: rosetta_ref ; Computational Protocol: rosetta_yhh_planarity ; Computational Protocol: rosetta_p_aa_pp ; Computational Protocol: rosetta_fa_dunn ; Computational Protocol: rosetta_omega ; Computational Protocol: rosetta_dslf_fa13 ; Computational Protocol: rosetta_hbond_sc ; Computational Protocol: rosetta_hbond_bb_sc ; Computational Protocol: rosetta_hbond_lr_bb ; Computational Protocol: rosetta_hbond_sr_bb ; Computational Protocol: rosetta_pro_close ; Computational Protocol: rosetta_fa_elec ; Computational Protocol: rosetta_lk_ball_wtd ; Computational Protocol: rosetta_fa_intra_sol_xover4 ; Computational Protocol: rosetta_fa_intra_rep ; Computational Protocol: rosetta_fa_sol ; Computational Protocol: rosetta_fa_rep ; Computational Protocol: rosetta_fa_atr ; Computational Protocol: rosetta_total ; Computational Protocol: elaspic_ddg ; Computational Protocol: popmusic_ddg ; Computational Protocol: sdm_ddg ; Computational Protocol: HotMusic_dTm ; Computational Protocol: automute_ddg ; Computational Protocol: automute_dTm ; Computational Protocol: deep_ddg ; Computational Protocol: foldx_Entropy_Complex ; Computational Protocol: foldx_energy_Ionisation ; Computational Protocol: foldx_partial_covalent_bonds ; Computational Protocol: foldx_electrostatic_kon ; Computational Protocol: foldx_disulfide ; Computational Protocol: foldx_water_bridge
Libraries thermostability

Structure view and single mutant data analysis

Study data

No weblogo for data of varying length.
Colors: D E R H K S T N Q A V I L M F Y W C G P
 

Data Distribution

Studies with similar sequences (approximate matches)

Correlation with other assays (exact sequence matches)