Closed Ming-Qin-tech closed 1 month ago
If cannot use it, what strategy your suggested to cut the sequence to maintain the same length? now I am trying sequence align algorithm to cut the longer sequence.
Hi, if I understand correctly your question then yes, DockQ realigns the sequences and only performs comparisons on the parts that are in both the model and the reference structures
Oh,Thx!
In Flexible docking cases, a same protein pdbid can have slightly different before and after this flexible docking. For example, If I extract the protein sequence from "1a2k_receptor_unbound.pdb", the chain A's sequence is :"GDKPIWEQIGSSFIQHYYQLFDNDRTQLGAIYIDASCLTWEGQQFQGKAAIVEKLSSLPFQKIQHSITAQDHQPTPDSCIISMVVGQLKADEDPIMGFHQMFLLKNINDAWVCTNDMFRLALHNF"
However, the sequence from "1a2k_receptor_bound.pdb" is : "KPIWEQIGSSFIQHYYQLFDNDRTQLGAIYIDASCLTWEGQQFQGKAAIVEKLSSLPFQKIQHSITAQDHQPTPDSCIISMVVGQLKADEDPIMGFHQMFLLKNINDAWVCTNDMFRLALHNFG".
we can see the different of the sequence length. To evaluate the felxible docking model performance, I want to run DockQ algprithm to evaluate the two pdb file. The question is: can Can two slightly different (length)sequence be allplied to DockQ algorithm?