Project name: 41973fe706e9fe8

Status: done

Started: 2025-12-11 04:30:23
Settings
Chain sequence(s) L: KAGTPSYMPPELD
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-1.6891
Maximal score value
1.3053
Average score
-0.3771
Total score value
-4.9018

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
169 K L -1.6891
170 A L -0.3426
171 G L -0.4681
172 T L -0.1987
173 P L -0.3057
174 S L -0.0193
175 Y L 1.3053
176 M L 0.3797
177 P L -0.1143
178 P L -0.5991
179 E L -1.6746
180 L L 0.4214
181 D L -1.5967
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Laboratory of Theory of Biopolymers 2018