Project name: 7962539f018a988

Status: done

Started: 2026-01-21 15:39:58
Settings
Chain sequence(s) L: DMFAKLKEKFFNEIN
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)
Show buried residues

Minimal score value
-2.1238
Maximal score value
1.9934
Average score
-0.2112
Total score value
-3.1681

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
1290 D L -1.6013
1291 M L 1.0725
1292 F L 1.9934
1293 A L 0.0329
1294 K L -0.9993
1295 L L 0.8026
1296 K L -1.0149
1297 E L -2.1238
1298 K L -1.4143
1299 F L 1.4216
1300 F L 1.0358
1301 N L -1.3969
1302 E L -1.5212
1303 I L 1.4529
1304 N L -0.9081
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Laboratory of Theory of Biopolymers 2018