Project name: 57d50c71c21921c

Status: done

Started: 2026-04-14 17:18:30
Settings
Chain sequence(s) A: DALSYYWSQLDQGMD
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-2.5222
Maximal score value
1.7601
Average score
-0.3437
Total score value
-5.1552

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 -0.8963
2 A A 0.6719
3 L A 1.7601
4 S A 0.9372
5 Y A 1.6526
6 Y A 1.4017
7 W A 1.0937
8 S A -0.3202
9 Q A -1.1220
10 L A -0.6889
11 D A -2.3659
12 Q A -2.5222
13 G A -1.7391
14 M A -0.9814
15 D A -2.0364
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Laboratory of Theory of Biopolymers 2018