Project name: f72cf3e523b75a2

Status: done

Started: 2026-07-01 15:22:14
Settings
Chain sequence(s) B: GSVEQVSVSVSTDELLALGPSLGVAFGFGENEEEAVAEAQKQPPHRLVVA
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-3.2709
Maximal score value
2.1209
Average score
-0.6223
Total score value
-31.1169

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 B -0.2884
2 S B -0.1741
3 V B 0.4187
4 E B -1.2689
5 Q B -0.9056
6 V B 1.1285
7 S B 1.2840
8 V B 2.1209
9 S B 0.8328
10 V B 0.3688
11 S B -0.6853
12 T B -0.4261
13 D B -1.8251
14 E B -1.6887
15 L B 0.0000
16 L B 1.1128
17 A B 0.3696
18 L B 1.2644
19 G B 1.0172
20 P B 0.5954
21 S B 0.1722
22 L B 0.2672
23 G B -0.8007
24 V B -0.3424
25 A B -0.9299
26 F B 0.7714
27 G B 0.0860
28 F B 0.6562
29 G B -1.8162
30 E B -2.9338
31 N B -2.9917
32 E B -3.2709
33 E B -3.2582
34 E B -3.0888
35 A B -1.5314
36 V B -0.4421
37 A B -1.5317
38 E B -1.9522
39 A B -1.1313
40 Q B -2.3107
41 K B -2.8814
42 Q B -2.3994
43 P B -1.8255
44 P B -1.7354
45 H B -1.7075
46 R B -1.7635
47 L B 0.4038
48 V B 1.7240
49 V B 1.2556
50 A B 0.9405
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Laboratory of Theory of Biopolymers 2018