Project name: IVIVKGH2

Status: done

Started: 2026-02-10 06:32:51
Settings
Chain sequence(s) A: IVIVKGH
B: IVIVKGH
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)
Show buried residues

Minimal score value
-2.3311
Maximal score value
6.4586
Average score
2.2336
Total score value
31.27

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 5.9801
2 V A 6.2314
3 I A 6.1391
4 V A 3.3415
5 K A -1.4674
6 G A -1.8091
7 H A -2.3311
1 I B 5.9870
2 V B 6.4586
3 I B 5.6794
4 V B 2.9946
5 K B -1.7979
6 G B -1.8058
7 H B -2.3304
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Laboratory of Theory of Biopolymers 2018