Project name: 2e469d397bfccb4

Status: done

Started: 2026-02-08 15:50:19
Settings
Chain sequence(s) L: KIIGVVDEGWSGED
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.                                          (00:00:06)
Show buried residues

Minimal score value
-2.3349
Maximal score value
2.4388
Average score
-0.1463
Total score value
-2.0486

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
0 K L -1.6410
1 I L 2.0337
2 I L 2.4388
3 G L -0.1694
4 V L 1.1054
5 V L 1.5633
6 D L -1.6428
7 E L -1.3863
8 G L -0.4334
9 W L 1.0647
10 S L -0.0078
11 G L -0.3487
12 E L -2.3349
13 D L -2.2902
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Laboratory of Theory of Biopolymers 2018