Project name: cad2e907b20355c

Status: done

Started: 2026-01-28 11:00:22
Settings
Chain sequence(s) L: DLPVAGPYQYHMPGGF
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-0.8023
Maximal score value
1.6996
Average score
0.283
Total score value
4.5279

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 D L -0.8023
1 L L 1.2291
2 P L 0.3389
3 V L 1.6996
4 A L 0.2906
5 G L -0.4305
6 P L -0.0968
7 Y L 1.0589
8 Q L -0.7301
9 Y L 0.9185
10 H L -0.5581
11 M L 0.8275
12 P L -0.1018
13 G L -0.3224
14 G L -0.0883
15 F L 1.2951
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Laboratory of Theory of Biopolymers 2018