Project name: 633b5b59671c08a

Status: done

Started: 2026-02-08 15:55:54
Settings
Chain sequence(s) L: KFPTGGGPAYGIYYD
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-1.5478
Maximal score value
2.3705
Average score
0.2526
Total score value
3.7885

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 -0.7788
1 F L 1.4230
2 P L 0.1297
3 T L -0.1954
4 G L -0.5626
5 G L -0.5763
6 G L -0.2683
7 P L -0.1826
8 A L 0.0655
9 Y L 0.5540
10 G L 0.0000
11 I L 2.3705
12 Y L 2.1170
13 Y L 1.2406
14 D L -1.5478
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Laboratory of Theory of Biopolymers 2018