Project name: 11A

Status: done

Started: 2026-05-26 16:05:57
Settings
Chain sequence(s) A: ALWKTLLKKVLKAAAK
input PDB
Selected Chain(s) A
Distance of aggregation 10 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 A 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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)
Show buried residues

Minimal score value
-1.787
Maximal score value
1.9196
Average score
-0.0443
Total score value
-0.7082

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
1 A A 0.8831
2 L A 1.9196
3 W A 1.2058
4 K A -0.8010
5 T A -0.0289
6 L A 0.8165
7 L A 0.5350
8 K A -1.3238
9 K A -0.6440
10 V A 1.4120
11 L A 0.8790
12 K A -1.2422
13 A A -0.9080
14 A A -0.5538
15 A A -1.0705
16 K A -1.7870
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018