Project name: 36b8a1baeef7084

Status: done

Started: 2026-02-08 16:02:31
Settings
Chain sequence(s) L: CAKDQYFGPLCPNDAC
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
-2.4524
Maximal score value
2.167
Average score
-0.1754
Total score value
-2.8067

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 0.6489
1 A L -0.2995
2 K L -2.1713
3 D L -2.4524
4 Q L -1.3196
5 Y L 1.5223
6 F L 2.1670
7 G L 0.0780
8 P L -0.0331
9 L L 1.5850
10 C L 0.7212
11 P L -0.2138
12 N L -1.6287
13 D L -2.0136
14 A L -0.1392
15 C L 0.7421
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Laboratory of Theory of Biopolymers 2018