Project name: CCAEAEAEAEAKAKAKAK

Status: done

Started: 2026-04-08 07:47:08
Settings
Chain sequence(s) A: CCAEAEAEAEAKAKAKAK
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)
Show buried residues

Minimal score value
-3.7767
Maximal score value
0.4406
Average score
-2.5037
Total score value
-45.0674

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 C A 0.4406
2 C A 0.1397
3 A A -1.0783
4 E A -2.5679
5 A A -2.1187
6 E A -3.2206
7 A A -2.9841
8 E A -3.6901
9 A A -3.2159
10 E A -3.7767
11 A A -3.0427
12 K A -3.4218
13 A A -2.9198
14 K A -3.2291
15 A A -2.6674
16 K A -2.9507
17 A A -2.2398
18 K A -2.5241
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Laboratory of Theory of Biopolymers 2018