Here we present a dissecting algorithm, with the goal of depicting the anatomy of the protein structure, in terms of the protein folding process. Via an iterative, top-down dissecting procedure, tertiary structures are spliced down to reveal their anatomy: First to produce domains (defined by visual 3-D inspection criteria); then hydrophobic folding units (HFU) and, at the end of a multi-level process, a set of building blocks. The resulting anatomy tree organization straightforwardly describes the most likely folding pathway(s). Comparison of the tree with the formation of the hydrophobic folding units through combinatorial assembly of the building blocks, illustrates whether the chain follows a sequential or a complex folding pathway. Further, the tree points to the kinetics of the folding, whether the chain is a fast or a slow folder, and the probability of misfolding. Our ability to successfully dissect the protein into an anatomy tree illustrates that protein folding is a hierarchical process, and further validates the building blocks protein folding model.
| 78 Local Minima: The Complete List | ||||||
|---|---|---|---|---|---|---|
| # | Size (Residues) | Compactness | Hydrophobicity | Isolatedness | Score | Residues List |
| 1 | 192 | 1.652 | 0.81 | 0.05 | 6.68 | 146 - 337 |
| 2 | 74 | 1.455 | 0.76 | 0.10 | 5.79 | 187 - 260 |
| 3 | 92 | 1.500 | 0.77 | 0.11 | 5.45 | 181 - 272 |
| --- | --- | --- | --- | --- | --- | --- |
| --- | --- | --- | --- | --- | --- | --- |
| 76 | 24 | 1.522 | 0.58 | 0.44 | -3.81 | 112 - 135 |
| 77 | 26 | 1.538 | 0.58 | 0.43 | -4.04 | 252 - 277 |
| 78 | 29 | 1.674 | 0.56 | 0.30 | -4.14 | 311 - 339 |
| 2-D Fragment Map | Detailed Anatomy Tree |
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| Graphical presentation | ||||
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| Anatomy Level | Level 1 | Level 2 | Level 3 | |
| Building Blocks |
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| Hydrophobic Folding Units |
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