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Figure 2
Spatial distribution of Patterson density for representative protein structures. The cumulative radial Patterson density is plotted as a function of the fractional molecular radius for five protein structures chosen to differ markedly in fold: PDB entry 3ivi is an extended α-helix extracted from a coiled coil, PDB entry 4hq1 is an extended leucine-rich repeat with two solenoids, PDB entry 3w6x is a highly globular protein, PDB entry 5tq8 is a bilobal kinase and PDB entry 1a0s is a porin. For each structure, the atomic model was centred at the origin, placed in a large cubic P1 unit cell and used to compute a map. The squared amplitudes of the Fourier coefficients were spherically averaged in concentric shells to yield the radial distribution of Patterson density. The cumulative sum of shell contributions, normalized to 100%, quantifies the proportion of total Patterson signal within a given radius. Ribbon diagrams of the protein structures are shown for visual reference, with PDB codes indicated. Each image was rendered using Mol* Viewer (Sehnal et al., 2021 |
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