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When a mutation in this view fails, one gets a white PDB without indicated energies and sequence, however the entry and display is still present. No error pops up. When going back to parent and trying a mutation, now an error is generated. The error should be generated the first time a mutation fails and maybe the faulty entry should not be displayed at all.

The upload in this case works and one gets to the "define mutations" screen, however it is impossible to select ("available chains: :1-315" < without ID) any position for mutation. Either raise an error beforehand or manually add the chain ID.

Don't know if this needs reslving or just a specific error message. Editing residue in PDB to "HIS" solves the issue

Last week I tried the pdb 7LHY structure where I mutated A:S successfully. When I wanted to try a different mutation I received the error "invalid chain or residue position". I tried different positions and amino acids without any success.

maybe this is intended though.

The upload fields can all be filled with entries, however it remains unclear to the new user which of the files will actually be used. Maybe a note with "topmost entry will be used for upload" (like popup upon entering stuff into multiple fields) might help.

On left side in explorer view the window displays "XXXX | Model 1 | Instance 1_555" <-What is "XXXX"? This should be made more intuitive with its respective meaning.

Upon introducing destabilizing mutations, the total displayed energy goes up with ref. to the parent, however the energy difference is negative. The difference should be positive, since energy increase should reflect destabilization.

Remove the note saying "FLO"

Dear Author,
The run is
Status of job 412173:
2024-03-03 13:08:53 Start Calculation
2024-03-03 13:08:53 Start fixbb for mut_0
2024-03-03 13:09:25 fixbb for mut_0 done
forever.
Kindly look into it.

In explore view the RaSP has 2 problems:

• identical mutations (X->X) do not lead to 0 energies
• some amino acids are missing (e.g. Ala, Cys)

Reproduction: Load "4DLQ" from PDB. Select "long minimization", enter B:838F:

There was an error: "Relaxation of initial structure failed. Check your input PDB. Calpha only traces can not be handled. RaSP requires side-chains to be present. from add_mutations()"

The PDB is already minimized as stated by the blue message. When I select "short minimization", it works.

890844 https://proteinformatics.uni-leipzig.de/mutation_explorer/status/890844/mut_0_1.pdb/-

We had this issue before and it was not to be fixed, however I still want to raise the point that from a biochemical perspective, a mutational disruption of disulfides is often created as a positive control for protein structure disruption.