Project name: df16e29c72fc176

Status: done

Started: 2026-02-08 16:02:28
Settings
Chain sequence(s) L: SYDDYFGWSLAGAELK
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-1.8807
Maximal score value
1.6424
Average score
-0.0941
Total score value
-1.5054

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 S L -0.2730
1 Y L 1.0301
2 D L -1.8699
3 D L -1.8807
4 Y L 0.9689
5 F L 0.9488
6 G L 0.2969
7 W L 1.2906
8 S L 0.3976
9 L L 1.6424
10 A L 0.2880
11 G L -0.4508
12 A L -0.3598
13 E L -1.7257
14 L L -0.1527
15 K L -1.6561
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Laboratory of Theory of Biopolymers 2018