Project name: 228a707ee3bfaa8

Status: done

Started: 2026-02-08 16:01:04
Settings
Chain sequence(s) L: GDPFYHDEFVAVDA
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]                                                (00:00:02)
[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 L 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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-2.2996
Maximal score value
1.8776
Average score
-0.1128
Total score value
-1.5791

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 G L -0.7846
1 D L -1.9203
2 P L -0.3461
3 F L 1.4724
4 Y L 1.3681
5 H L -1.0887
6 D L -2.2996
7 E L -1.7913
8 F L 1.8776
9 V L 1.5776
10 A L 0.7075
11 V L 1.4728
12 D L -1.4792
13 A L -0.3453
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Laboratory of Theory of Biopolymers 2018