Project name: d21ccad2288902b

Status: done

Started: 2025-10-06 14:25:16
Settings
Chain sequence(s) A: GGSGGTPLGLWAGGSGTSKLQADGGSG
input PDB
Selected Chain(s) A
Distance of aggregation 10 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 A 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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-2.3875
Maximal score value
1.3129
Average score
-0.7425
Total score value
-19.3048

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
1 G A -0.5776
2 G A -0.5133
3 S A -0.4366
4 G A -0.7263
5 G A -0.7250
6 T A -0.2430
7 P A 0.1987
8 L A 1.3129
9 G A 0.3217
10 L A 1.0651
11 W A 0.3131
12 A A -0.3567
13 G A -0.4486
14 G A -0.8385
15 S A -0.9622
16 G A -1.0580
17 T A -0.8771
18 S A -1.3820
19 K A -1.9919
20 L A -1.0686
21 Q A -1.9193
22 A A -1.5042
23 D A -2.3875
24 G A -1.7703
25 G A -1.4714
26 S A -1.2582
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Laboratory of Theory of Biopolymers 2018