Project name: 188c829eab24c23

Status: done

Started: 2026-01-28 11:00:21
Settings
Chain sequence(s) L: YPVPTTTPFPQLAGDY
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-1.5124
Maximal score value
1.7288
Average score
0.3692
Total score value
5.9069

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 Y L 1.5035
1 P L 0.2960
2 V L 1.6815
3 P L 0.0421
4 T L -0.1213
5 T L 0.1631
6 T L -0.0805
7 P L 0.2194
8 F L 1.7288
9 P L -0.0626
10 Q L -0.7675
11 L L 1.6032
12 A L 0.5077
13 G L -0.4382
14 D L -1.5124
15 Y L 1.1441
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Laboratory of Theory of Biopolymers 2018