Project name: ab3ceda63750fe7

Status: done

Started: 2026-06-22 16:03:23
Settings
Chain sequence(s) B: SFAERLKKALKEVEAMAKKMEAEGYEELAAALKKMAEKIKKKLEEVEKKL
input PDB
Selected Chain(s) B
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 B 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                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)
Show buried residues

Minimal score value
-5.1338
Maximal score value
0.0
Average score
-2.626
Total score value
-131.2992

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 S B -0.5563
2 F B -0.2374
3 A B 0.0000
4 E B -3.1450
5 R B -3.3324
6 L B 0.0000
7 K B -3.9267
8 K B -4.1902
9 A B -3.1406
10 L B -3.6470
11 K B -3.8955
12 E B -3.4355
13 V B 0.0000
14 E B -3.7311
15 A B -2.7458
16 M B -2.0732
17 A B 0.0000
18 K B -3.9086
19 K B -3.1994
20 M B -2.8574
21 E B -3.8044
22 A B -2.8178
23 E B -3.0666
24 G B -2.4795
25 Y B -1.9042
26 E B -3.1171
27 E B -2.4867
28 L B -1.6050
29 A B 0.0000
30 A B -2.0930
31 A B -1.4684
32 L B 0.0000
33 K B -3.4010
34 K B -3.4426
35 M B -2.5283
36 A B 0.0000
37 E B -4.6206
38 K B -4.3903
39 I B -3.8293
40 K B -4.6794
41 K B -4.9890
42 K B -4.6643
43 L B 0.0000
44 E B -5.1338
45 E B -4.9536
46 V B 0.0000
47 E B -3.9272
48 K B -4.0833
49 K B -3.0689
50 L B -0.7228
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Laboratory of Theory of Biopolymers 2018