Project name: e43091c18bdb805

Status: done

Started: 2024-04-18 23:32:05
Settings
Chain sequence(s) A: AKGEASDVDY
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]                                                (00:00:00)
[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 A 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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-2.6408
Maximal score value
0.6767
Average score
-1.2212
Total score value
-12.2122

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 -1.1415
2 K A -2.2509
3 G A -2.0121
4 E A -2.6408
5 A A -1.5441
6 S A -1.3305
7 D A -1.5739
8 V A 0.3877
9 D A -0.7828
10 Y A 0.6767
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Laboratory of Theory of Biopolymers 2018