Project name: 5f458862a279fe

Status: done

Started: 2026-02-08 15:51:09
Settings
Chain sequence(s) L: CTDPAFAFAVEYAC
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]                                                (00:00:00)
[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 L 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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-1.87
Maximal score value
2.0012
Average score
0.2719
Total score value
3.8061

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 C L 0.2485
1 T L -0.4235
2 D L -1.8700
3 P L -0.7011
4 A L 0.3679
5 F L 1.9605
6 A L 0.7862
7 F L 2.0012
8 A L 0.4539
9 V L 0.3145
10 E L -1.4925
11 Y L 0.9765
12 A L 0.4418
13 C L 0.7422
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Laboratory of Theory of Biopolymers 2018