Project name: 5b9478b81c4e5c6

Status: done

Started: 2026-03-30 00:47:42
Settings
Chain sequence(s) A: AVILWRRRRRRR
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-4.3624
Maximal score value
3.8866
Average score
-1.1344
Total score value
-13.613

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
2 A A 1.3383
3 V A 3.0957
4 I A 3.8866
5 L A 3.0799
6 W A 1.1079
7 R A -2.2101
8 R A -3.7564
9 R A -4.3624
10 R A -4.3600
11 R A -4.3545
12 R A -3.9836
13 R A -3.0944
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Laboratory of Theory of Biopolymers 2018