Project name: 79e6e16bb19b91e

Status: done

Started: 2026-02-08 16:03:52
Settings
Chain sequence(s) L: KMYHNHGPAD
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-1.7788
Maximal score value
1.331
Average score
-0.6227
Total score value
-6.2271

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 -1.6330
1 M L 0.8880
2 Y L 1.3310
3 H L -0.9319
4 N L -1.4367
5 H L -1.2763
6 G L -0.6856
7 P L -0.3418
8 A L -0.3620
9 D L -1.7788
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018