Project name: b70b487ea1441e9

Status: done

Started: 2026-07-01 15:24:37
Settings
Chain sequence(s) B: LLAADERAAAELEAAAAAAMPALLAEGVTRVRWMSSPDEVIETHTLVRLP
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)
Show buried residues

Minimal score value
-3.5189
Maximal score value
1.6151
Average score
-0.7938
Total score value
-39.6885

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 L B 1.6151
2 L B 0.9495
3 A B -0.4475
4 A B -1.0336
5 D B -2.4780
6 E B -3.0045
7 R B -3.5189
8 A B -2.3628
9 A B -2.2378
10 A B -2.4388
11 E B -2.5295
12 L B -0.6729
13 E B -1.7561
14 A B -0.8598
15 A B -0.3323
16 A B -0.2837
17 A B -0.3068
18 A B 0.1131
19 A B 0.1115
20 M B 0.3540
21 P B -0.3087
22 A B -0.1431
23 L B -0.3664
24 L B -0.2508
25 A B -0.9251
26 E B -1.6137
27 G B -1.1647
28 V B -0.4843
29 T B -0.7422
30 R B -1.8793
31 V B -1.4388
32 R B -1.6986
33 W B 0.3590
34 M B 0.1992
35 S B -0.3828
36 S B -0.8453
37 P B -1.2968
38 D B -2.3624
39 E B -2.0310
40 V B -0.0543
41 I B 0.6362
42 E B -0.7579
43 T B -1.1667
44 H B -1.4276
45 T B -0.8612
46 L B 0.2723
47 V B 1.0429
48 R B -0.1696
49 L B 1.0402
50 P B 0.2528
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Laboratory of Theory of Biopolymers 2018