Project name: 9db6ed50ee6e05b

Status: done

Started: 2026-02-08 15:51:28
Settings
Chain sequence(s) L: KPFAHKYALNQGWD
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.                                          (00:00:10)
Show buried residues

Minimal score value
-1.7619
Maximal score value
1.8983
Average score
-0.2876
Total score value
-4.0263

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 K L -1.0160
1 P L -0.0490
2 F L 1.8983
3 A L -0.0804
4 H L -1.3009
5 K L -1.7619
6 Y L 0.6344
7 A L 0.4083
8 L L 1.4281
9 N L -1.2090
10 Q L -1.5135
11 G L -0.4755
12 W L 0.6906
13 D L -1.6798
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Laboratory of Theory of Biopolymers 2018