Project name: 6ad91763fb65251

Status: done

Started: 2026-02-11 11:03:17
Settings
Chain sequence(s) A: GGKGHFG
B: GGKGHFG
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]                                                (00:00:02)
[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 all 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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)
Show buried residues

Minimal score value
-3.4431
Maximal score value
1.4765
Average score
-1.1796
Total score value
-16.5144

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 G A -1.5412
2 G A -2.5238
3 K A -3.4431
4 G A -1.9690
5 H A -0.9877
6 F A 1.4213
7 G A 0.4324
1 G B -1.6490
2 G B -2.2943
3 K B -3.4149
4 G B -1.6492
5 H B -0.8426
6 F B 1.4765
7 G B 0.4702
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Laboratory of Theory of Biopolymers 2018