Project name: f5511ad68dd6c93

Status: done

Started: 2026-01-24 17:08:51
Settings
Chain sequence(s) L: NIKSLSFPKL
input PDB
Selected Chain(s) L
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-1.4622
Maximal score value
1.8552
Average score
0.2266
Total score value
2.2659

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
340 N L -0.9018
341 I L 1.4654
342 K L -1.3689
343 S L -0.2409
344 L L 1.4699
345 S L 0.4309
346 F L 1.8552
347 P L -0.2164
348 K L -1.4622
349 L L 1.2347
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Laboratory of Theory of Biopolymers 2018