Project name: 9336189ce87b5a7

Status: done

Started: 2025-12-09 07:15:56
Settings
Chain sequence(s) L: NAYGGEYYTPNVD
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.6029
Maximal score value
1.5522
Average score
-0.0075
Total score value
-0.097

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
29 N L -0.9277
30 A L 0.1592
31 Y L 1.2432
32 G L -0.2535
33 G L -0.5287
34 E L -1.6029
35 Y L 1.2283
36 Y L 1.5522
37 T L 0.0487
38 P L -0.5940
39 N L -1.0018
40 V L 1.3771
41 D L -0.7971
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Laboratory of Theory of Biopolymers 2018