Project name: IVKGH2

Status: done

Started: 2026-02-10 05:28:58
Settings
Chain sequence(s) A: IVKGH
B: IVKGH
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-1.3954
Maximal score value
1.9913
Average score
0.5703
Total score value
5.7027

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 1.9913
2 V A 1.4537
3 K A 0.5071
4 G A 1.2074
5 H A 0.2723
1 I B 1.9403
2 V B 1.3392
3 K B -0.9108
4 G B -0.7024
5 H B -1.3954
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Laboratory of Theory of Biopolymers 2018