Project name: a9ef743194e814b

Status: done

Started: 2026-04-11 13:37:10
Settings
Chain sequence(s) A: MTIEELAQLLIK
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
-1.5425
Maximal score value
2.3473
Average score
0.5683
Total score value
6.8202

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 M A 1.3336
2 T A 1.0285
3 I A 1.0067
4 E A -1.1739
5 E A -1.5425
6 L A 0.5554
7 A A 0.1653
8 Q A -0.2350
9 L A 1.5894
10 L A 2.3473
11 I A 2.1016
12 K A -0.3562
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Laboratory of Theory of Biopolymers 2018