Project name: 8e74b4c205eeeee

Status: done

Started: 2025-12-31 17:37:14
Settings
Chain sequence(s) A: GIVEQCCEKICQLHHLGDYCNRNQQYQCNWKLVEALYLQCKFYGFFYTPKG
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)
Show buried residues

Minimal score value
-3.6207
Maximal score value
1.9929
Average score
-0.552
Total score value
-28.1538

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 A -0.7435
2 I A -0.6579
3 V A -0.9402
4 E A -2.2037
5 Q A -1.2139
6 C A 0.0000
7 C A 0.0000
8 E A -2.1136
9 K A -1.3871
10 I A 1.2265
11 C A 0.0000
12 Q A -0.3321
13 L A -0.3131
14 H A -1.3979
15 H A -0.9038
16 L A 0.0000
17 G A -1.4962
18 D A -1.8296
19 Y A -0.2947
20 C A -1.8830
21 N A -2.8874
22 R A -3.6207
23 N A -3.2960
24 Q A -3.0017
25 Q A -2.5681
26 Y A -0.6255
27 Q A -1.3002
28 C A -1.3611
29 N A -0.5563
30 W A -0.0837
31 K A -1.3359
32 L A 0.1038
33 V A 0.4639
34 E A -0.3511
35 A A -0.1270
36 L A 0.0000
37 Y A 1.4023
38 L A 1.1222
39 Q A -0.1139
40 C A 0.0000
41 K A 0.0975
42 F A 1.9679
43 Y A 1.5732
44 G A 1.2137
45 F A 1.4259
46 F A 1.9929
47 Y A 1.6385
48 T A 0.2509
49 P A -0.7022
50 K A -1.8844
51 G A -1.1075
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Laboratory of Theory of Biopolymers 2018