Project name: d557be64c8f5741

Status: done

Started: 2025-12-09 12:24:45
Settings
Chain sequence(s) L: KIWQFAELGLEEFD
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)
Show buried residues

Minimal score value
-1.8198
Maximal score value
1.9163
Average score
0.0463
Total score value
0.648

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
22 K L -1.3352
23 I L 1.9163
24 W L 1.3295
25 Q L -0.7865
26 F L 0.8823
27 A L 0.1502
28 E L -0.4901
29 L L 1.3573
30 G L 0.0938
31 L L 1.1742
32 E L -1.6732
33 E L -1.8198
34 F L 1.2873
35 D L -1.4381
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Laboratory of Theory of Biopolymers 2018