Project name: b585ed0ede06851

Status: done

Started: 2026-01-28 10:56:23
Settings
Chain sequence(s) L: CEYGYYVNIFGKGC
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-1.7907
Maximal score value
2.2746
Average score
0.3272
Total score value
4.5809

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 0.0578
1 E L -1.5264
2 Y L 0.9034
3 G L 0.0049
4 Y L 1.4672
5 Y L 1.5967
6 V L 0.2495
7 N L -0.8670
8 I L 2.1321
9 F L 2.2746
10 G L -0.1212
11 K L -1.7907
12 G L -0.4707
13 C L 0.6707
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Laboratory of Theory of Biopolymers 2018