Project name: a86fa8ec0054394

Status: done

Started: 2025-12-07 14:11:16
Settings
Chain sequence(s) L: CDQSQYWDWFFVESC
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.8754
Maximal score value
2.5147
Average score
0.0237
Total score value
0.3548

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
250 C L 0.4119
251 D L -1.8754
252 Q L -1.5407
253 S L -0.5392
254 Q L -1.0527
255 Y L 0.7243
256 W L 0.0534
257 D L -1.5342
258 W L 1.2154
259 F L 2.5147
260 F L 2.4636
261 V L 0.9366
262 E L -1.6948
263 S L -0.4208
264 C L 0.6927
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Laboratory of Theory of Biopolymers 2018