TopoDesign

Protein Topological Engineering Platform

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Instructions

Input File Format Requirements

Currently, the system only accepts PDB files as input. Please note that .pdb files from the PDB database may contain some problems such as structural gaps or non-standard residues, which could potentially cause unexpected errors during processing. We recommend using standardized files generated by prediction software such as AF2 and ESMFold.

Parameter Specifications

Target topology: Determines whether the final design will be a knot (single-chain) or link (currently limited to two-chain systems).
Splitting number: The number of splits in the original loop region.
Selected chain: Specifies the chain to be designed. The system will automatically identify the chain ID from the PDB file. If the input is empty, the first chain will be selected by default.

Remove NC loop: Whether Remove the loop region at the N- and C- terminus.

Runtime and Results

Runtime scales with possible splitting and rewiring combinations (related to protein length), potentially yielding fewer than 5 viable results (including none), where increasing segmentation may help but some proteins remain unsuitable for topological redesign.