Project name: 501d434ad5cbd37

Status: done

Started: 2026-01-28 11:00:18
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-1.2931
Maximal score value
2.1716
Average score
0.1819
Total score value
2.9103

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 -1.2931
1 Y L 0.8784
2 D L -0.1353
3 V L 1.1159
4 I L 2.1716
5 A L 0.4622
6 A L 0.0801
7 A L 0.0797
8 A L 0.0231
9 P L -0.4246
10 H L -1.1645
11 H L -0.8307
12 E L -0.7451
13 P L -0.1964
14 M L 1.2430
15 V L 1.6460
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Laboratory of Theory of Biopolymers 2018