Project name: 744d9d2cf54483e

Status: done

Started: 2025-12-09 07:16:48
Settings
Chain sequence(s) L: KAALMVVNYWTDLKED
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)
Show buried residues

Minimal score value
-2.4611
Maximal score value
1.4442
Average score
-0.2227
Total score value
-3.5625

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
12 K L -1.6729
13 A L -0.2389
14 A L 0.1844
15 L L 0.1382
16 M L 1.0492
17 V L 1.1178
18 V L 0.6977
19 N L -0.0908
20 Y L 1.4442
21 W L 1.4144
22 T L -0.2003
23 D L -1.5782
24 L L 0.5721
25 K L -1.8158
26 E L -2.4611
27 D L -2.1225
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018