Project name: 329a4e705f9feb3

Status: done

Started: 2026-07-29 07:24:42
Settings
Chain sequence(s) A: EAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCK
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)
Show buried residues

Minimal score value
-2.7925
Maximal score value
2.1061
Average score
-0.783
Total score value
-47.7605

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 E A -2.2743
2 A A -1.0564
3 K A -1.4094
4 L A 0.3774
5 T A -0.1249
6 N A -0.8848
7 T A -0.0871
8 T A -0.6359
9 T A -0.7169
10 E A -1.2598
11 S A -1.0121
12 R A -1.6325
13 C A -1.0634
14 P A -0.7793
15 T A -1.1672
16 Q A -2.0083
17 G A -2.0860
18 E A -2.5284
19 P A 0.0000
20 T A -1.2898
21 L A -1.2275
22 N A -1.9957
23 E A -1.9416
24 E A -2.3551
25 Q A -2.6189
26 D A -2.5661
27 K A -2.7925
28 R A -2.1439
29 F A -0.7635
30 V A 0.8266
31 C A -0.7322
32 K A -1.7434
33 H A -1.8569
34 S A -0.6697
35 M A 0.0130
36 V A -0.3594
37 D A -1.7829
38 R A 0.0000
39 G A 0.0000
40 W A 0.9498
41 G A -0.6618
42 N A -1.4273
43 G A -0.7777
44 C A 0.0000
45 G A 0.6731
46 L A 2.1061
47 F A 1.8304
48 G A -0.1161
49 K A -1.4801
50 G A 0.0000
51 G A 0.0000
52 I A -0.9196
53 V A 0.0000
54 T A -0.7235
55 C A 0.0000
56 A A 0.3491
57 M A 0.3083
58 F A 1.2313
59 T A -0.1845
60 C A -0.5934
61 K A -1.9758
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Laboratory of Theory of Biopolymers 2018