Project name: c2bd4d85694d373

Status: done

Started: 2025-12-09 07:15:57
Settings
Chain sequence(s) L: KYDYRDFIEAYLQKID
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)
Show buried residues

Minimal score value
-1.6918
Maximal score value
2.1832
Average score
0.1685
Total score value
2.6961

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
264 K L -1.4612
265 Y L 0.6791
266 D L -1.3107
267 Y L 0.6568
268 R L -1.6918
269 D L -0.4562
270 F L 2.1832
271 I L 2.0920
272 E L -0.1144
273 A L 0.1677
274 Y L 1.3979
275 L L 1.9513
276 Q L -0.2861
277 K L -1.2343
278 I L 1.5554
279 D L -1.4326
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018