Project name: 4950136871b75cd

Status: done

Started: 2026-01-28 10:56:23
Settings
Chain sequence(s) L: KFYYLGGFPNPAWD
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
-1.694
Maximal score value
2.1203
Average score
0.2462
Total score value
3.4474

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 -1.1741
1 F L 1.7380
2 Y L 2.1203
3 Y L 1.8231
4 L L 1.1471
5 G L -0.4109
6 G L -0.1531
7 F L 1.8190
8 P L -0.1457
9 N L -1.3758
10 P L -0.5386
11 A L 0.0966
12 W L 0.1955
13 D L -1.6940
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Laboratory of Theory of Biopolymers 2018