Project name: 3fddb173cb1c221

Status: done

Started: 2026-02-08 09:20:54
Settings
Chain sequence(s) L: TDGPSGGAAAPGGAIS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)
Show buried residues

Minimal score value
-1.837
Maximal score value
2.0026
Average score
-0.1445
Total score value
-2.3123

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
253 T L -0.4065
254 D L -1.8370
255 G L -0.5654
256 P L -0.3277
257 S L -0.3060
258 G L -0.3215
259 G L 0.1923
260 A L 0.0602
261 A L 0.0747
262 A L -0.0021
263 P L -0.3329
264 G L -0.5984
265 G L -0.5417
266 A L 0.3301
267 I L 2.0026
268 S L 0.2670
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Laboratory of Theory of Biopolymers 2018