Fig. 3: Dimensionality-reduction mapping of the heterotypic sequence space. | Nature Communications

Fig. 3: Dimensionality-reduction mapping of the heterotypic sequence space.

From: Mapping the sequence specificity of heterotypic amyloid interactions enables the identification of aggregation modifiers

Fig. 3

a Clustered modes of interaction that dominate capping variants were identified by analysing b total energy and individual energy components, including c steric clashes, d electrostatics, e backbone hydrogen bonding (BB H-bonding) and f solvation energy of hydrophobics. g Clustered modes of interaction that dominate variants supporting heterotypic aggregation. Independent clusters were identified by analysing h total energy and individual energy components, including i van der Waals interactions (VdW), j electrostatics, k backbone hydrogen bonding and l solvation energy of hydrophobics. ΔΔG scales are shown in kcal mol−1 units. Dimensionality reduction was performed using the Uniform Manifold Approximation and Projection (UMAP) technique.

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