Project name: 998fd38bb6a811d

Status: done

Started: 2026-02-08 15:53:54
Settings
Chain sequence(s) L: DYDVIAAAAPHHEPMV
input PDB
Selected Chain(s) L
Distance of aggregation 5 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 L 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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-1.6474
Maximal score value
2.1573
Average score
0.033
Total score value
0.5278

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
0 D L -1.2225
1 Y L 0.6405
2 D L -1.2978
3 V L 0.7040
4 I L 2.1573
5 A L 0.4416
6 A L 0.0802
7 A L 0.0800
8 A L 0.0244
9 P L -0.3666
10 H L -1.0583
11 H L -0.8158
12 E L -1.6474
13 P L -0.1307
14 M L 1.3268
15 V L 1.6121
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Laboratory of Theory of Biopolymers 2018