Project name: d669885cc26a769

Status: done

Started: 2026-01-28 10:57:52
Settings
Chain sequence(s) L: SSLMYWGNPFVRG
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.4762
Maximal score value
2.0364
Average score
0.4597
Total score value
5.9759

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 S L -0.3550
1 S L 0.0071
2 L L 1.7543
3 M L 1.0556
4 Y L 1.7707
5 W L 1.3862
6 G L 0.2436
7 N L -1.1122
8 P L -0.1467
9 F L 2.0364
10 V L 1.6528
11 R L -1.4762
12 G L -0.8407
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Laboratory of Theory of Biopolymers 2018