Project name: 4d0ea30c6cedfa

Status: done

Started: 2026-01-28 10:57:53
Settings
Chain sequence(s) L: KYDIWGPYTGERD
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-2.38
Maximal score value
1.5114
Average score
-0.3567
Total score value
-4.6366

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 K L -1.5339
1 Y L 0.7235
2 D L -1.4888
3 I L 1.3973
4 W L 1.5114
5 G L 0.0489
6 P L -0.0078
7 Y L 1.2177
8 T L 0.1476
9 G L -0.1948
10 E L -2.0506
11 R L -2.3800
12 D L -2.0271
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Laboratory of Theory of Biopolymers 2018