Project name: dcb74267b8b2759

Status: done

Started: 2026-07-10 10:41:16
Settings
Chain sequence(s) A: DEEEKKKLLERIKKYVDEKGPPEGVDREKYIEELFKELMKQKEIYDHIEEHGGQKSVG
input PDB
Selected Chain(s) A
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 A 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                                          (00:02:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:24)
Show buried residues

Minimal score value
-5.2846
Maximal score value
0.8565
Average score
-2.6652
Total score value
-154.5826

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 D A -4.2740
2 E A -4.9787
3 E A -5.1447
4 E A -5.2846
5 K A -4.7260
6 K A -4.9207
7 K A -4.1591
8 L A 0.0000
9 L A -3.0750
10 E A -3.9962
11 R A -3.8474
12 I A 0.0000
13 K A -3.6621
14 K A -4.0981
15 Y A -2.6695
16 V A 0.0000
17 D A -4.0873
18 E A -3.8403
19 K A -3.2404
20 G A -2.7847
21 P A -2.3204
22 P A -1.5283
23 E A -2.2016
24 G A -1.4337
25 V A -1.4783
26 D A -3.1435
27 R A -3.8353
28 E A -4.1693
29 K A -4.2037
30 Y A -3.1852
31 I A 0.0000
32 E A -4.3068
33 E A -4.1921
34 L A -2.5716
35 F A -2.9000
36 K A -3.4466
37 E A -3.5776
38 L A -2.0232
39 M A -1.9540
40 K A -2.8367
41 Q A -1.9645
42 K A -2.2047
43 E A -2.2332
44 I A -0.0758
45 Y A -0.3876
46 D A -2.8131
47 H A -2.0797
48 I A -0.7915
49 E A -2.9209
50 E A -3.3979
51 H A -2.7444
52 G A -2.6742
53 G A -2.3937
54 Q A -2.1335
55 K A -2.0794
56 S A -0.6008
57 V A 0.8565
58 G A 0.1525
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Laboratory of Theory of Biopolymers 2018