KinActive: data
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https://zenodo.org/record/10256947
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资源简介：
KinActive: datasets
The datasets related to protein kinases (PKs) prepared using the KinActive tool. Namely:
lXt-PK: A lXtractor data collection of protein kinase sequences and structures.
Default variables achored to a PF00069 sequence profile numbering calculated for lXt-PK domain sequences and structures:
default_str_vs: A default set of structure variables describing PK domains: distances, SASA, and angles.
default_can_seq_vs: A default set of ProteinFingerPrint (PFP) variables calculated for canonical sequences for each domain within the lXt-PK.
default_str_seq_vs: The same as above but calculated for PDB sequences.
default_lig_vs: Variable set describing how each PK domain structure relates to its connected ligands.
sp_variables: PFP variables required to run sequence-based models calculated for extracted SwissProt PK domains.
sp_predictions: ML predictions for PK-domain-containing SwissProt sequences. The predictions are propensities towards DFG-in or DFG-out conformations.
pdb_predictions: ML-based annotations of the active/inactive and DFG conformations for each domain structure in lXt-PK.
创建时间：
2023-12-09
