Project name: 756bfc92d9158a5

Status: done

Started: 2026-03-19 23:00:03
Settings
Chain sequence(s) A: VLGAFSDGLAHLDNLKGTFATLSEL
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)
Show buried residues

Minimal score value
-2.1869
Maximal score value
2.6914
Average score
0.2767
Total score value
6.9177

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 V A 2.6914
2 L A 2.5628
3 G A 1.0672
4 A A 1.3117
5 F A 2.2664
6 S A 0.6978
7 D A -0.9621
8 G A -0.2087
9 L A 0.4294
10 A A -0.9558
11 H A -1.3968
12 L A -0.5800
13 D A -2.1869
14 N A -1.8390
15 L A -0.2957
16 K A -1.3711
17 G A -0.8580
18 T A 0.2802
19 F A 1.5245
20 A A 0.5773
21 T A 0.8097
22 L A 1.8322
23 S A 0.6134
24 E A -0.4141
25 L A 1.3219
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Laboratory of Theory of Biopolymers 2018