Project name: 1b02681ce550ae6

Status: done

Started: 2026-01-28 10:56:44
Settings
Chain sequence(s) L: CYGPLYFPGPGDPKC
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]                                                (00:00:03)
[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 L 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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-1.8987
Maximal score value
2.1319
Average score
0.156
Total score value
2.3405

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 C L 0.8287
1 Y L 1.3146
2 G L -0.2719
3 P L -0.0581
4 L L 1.7396
5 Y L 1.9455
6 F L 2.1319
7 P L 0.0125
8 G L -0.6120
9 P L -0.4278
10 G L -0.9006
11 D L -1.8987
12 P L -0.7816
13 K L -1.2413
14 C L 0.5597
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Laboratory of Theory of Biopolymers 2018