Project name: 82855d72aa24407

Status: done

Started: 2026-04-11 13:22:24
Settings
Chain sequence(s) A: MEDEMAEIALEMAE
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]                                                (00:00:01)
[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 A 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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)
Show buried residues

Minimal score value
-3.5283
Maximal score value
0.1572
Average score
-1.312
Total score value
-18.3676

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 -0.3955
2 E A -2.8808
3 D A -3.5283
4 E A -3.1000
5 M A -1.4943
6 A A -1.6220
7 E A -2.2971
8 I A -0.2505
9 A A -0.0574
10 L A 0.1279
11 E A -1.1849
12 M A 0.1572
13 A A -0.2035
14 E A -1.6384
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Laboratory of Theory of Biopolymers 2018