Project name: d59aadfb42fa710

Status: done

Started: 2026-02-08 16:00:21
Settings
Chain sequence(s) L: AAYHDALLPAYW
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-1.9612
Maximal score value
1.8742
Average score
0.4608
Total score value
5.5293

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 A L 0.4329
1 A L 0.3692
2 Y L 1.2029
3 H L -1.0826
4 D L -1.9612
5 A L 0.0611
6 L L 1.8742
7 L L 1.8485
8 P L 0.0319
9 A L 0.5049
10 Y L 1.4079
11 W L 0.8396
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Laboratory of Theory of Biopolymers 2018