Project name: 68fe90824b841ac

Status: done

Started: 2026-01-24 17:08:21
Settings
Chain sequence(s) L: ISYGNDALMP
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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.0161
Maximal score value
1.9734
Average score
0.2387
Total score value
2.3866

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
167 I L 1.9734
168 S L 0.3986
169 Y L 1.1921
170 G L -0.4643
171 N L -1.6928
172 D L -2.0161
173 A L 0.0158
174 L L 1.7513
175 M L 1.2899
176 P L -0.0613
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Laboratory of Theory of Biopolymers 2018