Project name: 576bdb51a35553b

Status: done

Started: 2026-02-08 15:51:07
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.7462
Maximal score value
2.3406
Average score
0.3542
Total score value
4.9594

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 0.3898
1 E L -1.4840
2 Y L 0.9132
3 G L 0.0251
4 Y L 1.4114
5 Y L 0.7448
6 V L 1.0280
7 N L -0.7013
8 I L 2.2512
9 F L 2.3406
10 G L -0.4096
11 K L -1.7462
12 G L -0.5488
13 C L 0.7452
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Laboratory of Theory of Biopolymers 2018