Project name: 8c4373d8150b8cd

Status: done

Started: 2026-07-01 15:23:15
Settings
Chain sequence(s) B: TSTRFRWESLDSSGNVISSQDHTIVGPAQIQNVSISYSSPSTLVVTLTLL
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-3.7777
Maximal score value
2.8686
Average score
0.0113
Total score value
0.5674

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 0.2552
2 S B 0.1343
3 T B -0.6231
4 R B -2.2918
5 F B -2.1620
6 R B -3.3414
7 W B -1.6577
8 E B -1.3197
9 S B 0.1284
10 L B 0.9584
11 D B -0.1844
12 S B -0.6233
13 S B -0.7579
14 G B -0.6198
15 N B -0.4225
16 V B 1.4179
17 I B 2.0855
18 S B 0.5843
19 S B -1.1687
20 Q B -2.9502
21 D B -3.7777
22 H B -2.4181
23 T B -1.1531
24 I B 0.4477
25 V B 1.3376
26 G B 0.5134
27 P B 0.1914
28 A B 0.2853
29 Q B -0.6172
30 I B -0.0465
31 Q B -0.9463
32 N B -1.0628
33 V B 0.6543
34 S B 1.1990
35 I B 2.8686
36 S B 1.9024
37 Y B 1.9404
38 S B 0.9267
39 S B 0.2197
40 P B -0.1047
41 S B -0.1144
42 T B 0.5048
43 L B 1.8337
44 V B 2.2833
45 V B 2.2007
46 T B 1.1283
47 L B 0.7714
48 T B 0.1731
49 L B 0.8550
50 L B 1.1299
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Laboratory of Theory of Biopolymers 2018