Project name: dba8aaa3b29d98b

Status: done

Started: 2025-10-06 14:36:18
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]                                                (00:00:00)
[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 A 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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-2.415
Maximal score value
1.221
Average score
-0.7894
Total score value
-20.5235

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 -0.9293
2 G A -0.9403
3 S A -1.0415
4 G A -0.8601
5 G A -0.6361
6 T A -0.2232
7 P A 0.1620
8 L A 1.2210
9 G A 0.5622
10 L A 0.8619
11 W A 0.0487
12 A A -0.7335
13 G A -0.8494
14 G A -1.3199
15 S A -0.8654
16 G A -1.0845
17 T A -1.0642
18 S A -1.2562
19 K A -1.8668
20 L A -0.7896
21 Q A -1.6239
22 A A -1.4817
23 D A -2.4150
24 G A -1.7278
25 G A -1.1907
26 S A -0.4802
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Laboratory of Theory of Biopolymers 2018