Project name: d4a74632b001d4b

Status: done

Started: 2025-12-11 04:29:01
Settings
Chain sequence(s) L: KDILKEMGFPD
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-1.9776
Maximal score value
1.8089
Average score
-0.4752
Total score value
-5.2276

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
294 K L -1.9776
295 D L -1.7337
296 I L 1.7649
297 L L 0.3717
298 K L -1.9550
299 E L -1.9717
300 M L 0.4816
301 G L 0.0482
302 F L 1.8089
303 P L -0.2295
304 D L -1.8354
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Laboratory of Theory of Biopolymers 2018