Project name: 7dbecb854a041c7

Status: done

Started: 2026-07-01 15:23:22
Settings
Chain sequence(s) B: TSTLFQVQFLDSSGNVIDSQQHTIVGSPQISNVSISRVSPSVLQVTLTLL
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]                                                (00:00:00)
[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 B 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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)
Show buried residues

Minimal score value
-2.5917
Maximal score value
2.0776
Average score
0.2994
Total score value
14.9708

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 T B 0.1940
2 S B 0.8777
3 T B 0.9831
4 L B 1.2334
5 F B -0.2004
6 Q B -1.7319
7 V B -0.7319
8 Q B -0.7721
9 F B 0.8596
10 L B 1.2618
11 D B -0.1484
12 S B -0.5251
13 S B -0.7584
14 G B -0.4398
15 N B -0.4126
16 V B 1.3386
17 I B 1.7066
18 D B -0.5470
19 S B -1.2587
20 Q B -2.5917
21 Q B -2.2649
22 H B -1.1839
23 T B 0.3110
24 I B 1.2290
25 V B 1.7229
26 G B 0.3686
27 S B 0.0783
28 P B 0.2617
29 Q B -0.4569
30 I B 0.4581
31 S B 0.1046
32 N B -0.3030
33 V B 1.4880
34 S B 1.1824
35 I B 2.0776
36 S B 0.4574
37 R B -0.3458
38 V B 1.3151
39 S B 0.4859
40 P B 0.0784
41 S B 0.4842
42 V B 1.3806
43 L B 1.1004
44 Q B 0.3665
45 V B 1.4321
46 T B 0.8420
47 L B 0.9693
48 T B 0.5954
49 L B 1.0714
50 L B 1.3276
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Laboratory of Theory of Biopolymers 2018