Project name: 2c5a12128f628c0

Status: done

Started: 2026-02-12 15:06:30
Settings
Chain sequence(s) A: IVIVKGHE
B: IVIVKGHE
input PDB
Selected Chain(s) A,B
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 all 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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-3.6901
Maximal score value
5.1982
Average score
0.6221
Total score value
9.9531

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 I A 4.4151
2 V A 4.9486
3 I A 4.0051
4 V A 2.1970
5 K A -1.1138
6 G A -2.5110
7 H A -3.6901
8 E A -3.4310
1 I B 4.4295
2 V B 5.1982
3 I B 4.0525
4 V B 2.3473
5 K B -1.1083
6 G B -2.7911
7 H B -3.4829
8 E B -3.5120
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Laboratory of Theory of Biopolymers 2018