Project name: 11ef27bc3ae26f4

Status: done

Started: 2026-01-28 11:00:12
Settings
Chain sequence(s) L: KDAYGYSTFVNNATID
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-2.3989
Maximal score value
3.0195
Average score
0.3037
Total score value
4.8598

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 K L -2.3989
1 D L -2.2332
2 A L -0.2394
3 Y L 0.8922
4 G L 1.3721
5 Y L 2.7254
6 S L 0.4391
7 T L 0.8812
8 F L 3.0195
9 V L 2.4623
10 N L 1.0089
11 N L 0.0000
12 A L -2.0882
13 T L -0.9891
14 I L 1.4471
15 D L -1.4392
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Laboratory of Theory of Biopolymers 2018