Project name: 66a22f6ecb8a334

Status: done

Started: 2026-01-12 11:56:31
Settings
Chain sequence(s) A: GEEEDPSLQPLQDLLDSDIFEHSDGLGSGGGVGGGDLECDFEEIIRELLMDP
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)
Show buried residues

Minimal score value
-4.3144
Maximal score value
1.6215
Average score
-0.9954
Total score value
-51.7633

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 -2.1347
2 E A -3.7057
3 E A -4.2588
4 E A -4.3144
5 D A -3.5795
6 P A -2.0235
7 S A -1.0417
8 L A -0.8396
9 Q A -1.7936
10 P A -0.6911
11 L A 0.3326
12 Q A -0.8818
13 D A -1.9300
14 L A 0.3926
15 L A 0.4902
16 D A -1.6207
17 S A -0.9400
18 D A -1.7109
19 I A 0.4802
20 F A 0.6665
21 E A -2.0593
22 H A -1.8270
23 S A -1.1060
24 D A -1.9894
25 G A -0.9729
26 L A 0.5560
27 G A -0.4771
28 S A -0.5486
29 G A -0.5086
30 G A -0.6643
31 G A -0.1974
32 V A 0.9221
33 G A -0.4001
34 G A -0.6606
35 G A -1.3310
36 D A -1.9703
37 L A -0.5341
38 E A -1.8994
39 C A -1.2995
40 D A -1.5555
41 F A -0.0705
42 E A -1.8477
43 E A -2.4976
44 I A 0.1365
45 I A 0.9971
46 R A -1.3095
47 E A -1.2350
48 L A 1.1667
49 L A 1.6215
50 M A 0.4637
51 D A -1.2009
52 P A -0.3607
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Laboratory of Theory of Biopolymers 2018