Project name: f1c576465dcb0a0

Status: done

Started: 2024-04-18 23:31:30
Settings
Chain sequence(s) A: AKESFDFWEGVDL
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)
Show buried residues

Minimal score value
-2.449
Maximal score value
1.5976
Average score
-0.2277
Total score value
-2.9607

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 -1.2612
2 K A -2.4084
3 E A -2.4490
4 S A -0.8868
5 F A 0.9526
6 D A -0.0684
7 F A 1.5976
8 W A 1.1473
9 E A -0.8678
10 G A -0.2166
11 V A 0.8060
12 D A -0.5235
13 L A 1.2175
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Laboratory of Theory of Biopolymers 2018