Project name: e06e37e4c9c33b6

Status: done

Started: 2026-04-11 12:49:29
Settings
Chain sequence(s) A: DAETVHECGLKE
input PDB
Selected Chain(s) A
Distance of aggregation 10 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 A 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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.2498
Maximal score value
0.4226
Average score
-1.0132
Total score value
-12.1587

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
1 D A -2.1604
2 A A -1.4780
3 E A -2.1722
4 T A -0.7476
5 V A 0.4226
6 H A -0.2998
7 E A -0.7090
8 C A 0.1450
9 G A -0.7942
10 L A -0.1509
11 K A -1.9644
12 E A -2.2498
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Laboratory of Theory of Biopolymers 2018