Project name: a85c557ceceba28

Status: done

Started: 2026-03-17 11:44:20
Settings
Chain sequence(s) A: HGHYHTFFETHVYH
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)
Show buried residues

Minimal score value
-1.15
Maximal score value
1.5074
Average score
-0.0281
Total score value
-0.3939

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 H A -1.1500
2 G A -1.0898
3 H A -0.8359
4 Y A 0.3437
5 H A -0.5938
6 T A -0.1298
7 F A 1.1710
8 F A 0.8309
9 E A -0.7334
10 T A -0.2257
11 H A -0.0074
12 V A 1.5074
13 Y A 0.9890
14 H A -0.4701
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Laboratory of Theory of Biopolymers 2018