Project name: 11a

Status: done

Started: 2026-05-26 16:12:35
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-1.9175
Maximal score value
2.0673
Average score
0.2039
Total score value
3.2621

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 0.7852
2 L A 2.0673
3 W A 1.5703
4 K A -0.4854
5 T A 0.5217
6 L A 1.6735
7 L A 0.8529
8 K A -0.9517
9 K A -0.1393
10 V A 1.7254
11 L A 1.1638
12 K A -1.0665
13 A A -0.8129
14 A A -0.5735
15 A A -1.1512
16 K A -1.9175
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Laboratory of Theory of Biopolymers 2018