Project name: c8b358e8ab48645

Status: done

Started: 2026-07-01 15:24:04
Settings
Chain sequence(s) B: GVLMLTLVARGTVGEVTSLSVEDSGSRGTLTVTMRWVQGSVEAWLRDLTF
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-3.1652
Maximal score value
3.2379
Average score
-0.0302
Total score value
-1.5097

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 1.5409
2 V B 3.2379
3 L B 3.0522
4 M B 2.4116
5 L B 1.8137
6 T B 1.1705
7 L B 1.0800
8 V B 0.0566
9 A B -0.5916
10 R B -2.0994
11 G B -1.5101
12 T B -0.3824
13 V B 0.0259
14 G B -0.2508
15 E B -1.1081
16 V B 0.9683
17 T B 0.2328
18 S B 0.7215
19 L B 2.2868
20 S B 0.8977
21 V B 0.6705
22 E B -2.3476
23 D B -3.1652
24 S B -2.2622
25 G B -2.0042
26 S B -1.7880
27 R B -3.1061
28 G B -2.5679
29 T B -1.1655
30 L B 0.8526
31 T B 0.7762
32 V B 1.4109
33 T B 0.4489
34 M B 0.1845
35 R B -1.1999
36 W B 0.3469
37 V B -0.0263
38 Q B -0.9686
39 G B -0.7129
40 S B -0.8491
41 V B -0.8331
42 E B -1.6734
43 A B -0.5101
44 W B 0.3834
45 L B 0.9695
46 R B -0.8606
47 D B -0.6392
48 L B 1.0325
49 T B 1.9450
50 F B 2.5953
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Laboratory of Theory of Biopolymers 2018