Project name: 855fedbdec11147

Status: done

Started: 2026-02-08 15:53:14
Settings
Chain sequence(s) L: KLIAQKWGYVVVGFPD
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.                                          (00:00:06)
Show buried residues

Minimal score value
-1.7745
Maximal score value
2.0758
Average score
0.4627
Total score value
7.4036

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 -1.5160
1 L L 1.2909
2 I L 1.3854
3 A L 0.0387
4 Q L -1.6785
5 K L -1.7745
6 W L 0.4560
7 G L 0.7563
8 Y L 1.7999
9 V L 2.0758
10 V L 1.0025
11 V L 1.9058
12 G L 0.3379
13 F L 1.8358
14 P L 0.0218
15 D L -0.5342
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018