Project name: 447604c0367dbc8

Status: done

Started: 2026-02-08 15:59:03
Settings
Chain sequence(s) L: CEHQGGFQYLIC
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.4563
Maximal score value
2.449
Average score
0.4314
Total score value
5.1772

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 0.6705
1 E L -0.9316
2 H L -1.4142
3 Q L -1.4563
4 G L -0.7114
5 G L 0.0328
6 F L 1.8818
7 Q L -0.4960
8 Y L 1.5159
9 L L 2.2737
10 I L 2.4490
11 C L 1.3630
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Laboratory of Theory of Biopolymers 2018