Project name: d70fbb89329234f

Status: done

Started: 2025-12-07 14:11:21
Settings
Chain sequence(s) L: CQSQYWDWFFVESC
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-1.6576
Maximal score value
2.4989
Average score
0.2032
Total score value
2.8447

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
251 C L 0.5148
252 Q L -1.1045
253 S L -0.6494
254 Q L -1.1075
255 Y L 0.5581
256 W L 0.1414
257 D L -1.3060
258 W L 1.2076
259 F L 2.3248
260 F L 2.4989
261 V L 1.1497
262 E L -1.6576
263 S L -0.4181
264 C L 0.6925
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018