Project name: 7c83ad5989bd536

Status: done

Started: 2025-12-09 07:15:04
Settings
Chain sequence(s) L: KDELEKQVPVFVAD
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-2.4313
Maximal score value
2.3927
Average score
-0.3481
Total score value
-4.8735

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
90 K L -1.9081
91 D L -2.4313
92 E L -1.9390
93 L L 0.4951
94 E L -0.8494
95 K L -2.0812
96 Q L -1.2233
97 V L 1.2023
98 P L 0.0473
99 V L 1.0178
100 F L 2.3927
101 V L 2.1367
102 A L 0.0453
103 D L -1.7784
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Laboratory of Theory of Biopolymers 2018