Project name: c4d96d31ca7eb7a

Status: done

Started: 2026-02-08 15:51:15
Settings
Chain sequence(s) L: CSPVVGTLDQGVYC
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.7331
Maximal score value
1.9318
Average score
0.3961
Total score value
5.5458

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 0.7656
1 S L -0.0864
2 P L 0.0317
3 V L 1.9318
4 V L 1.6229
5 G L 0.2708
6 T L 0.1578
7 L L 1.2208
8 D L -1.7331
9 Q L -1.5113
10 G L -0.5187
11 V L 0.6078
12 Y L 1.6261
13 C L 1.1600
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Laboratory of Theory of Biopolymers 2018