Project name: 6620b062809d8a7

Status: done

Started: 2026-05-06 14:34:58
Settings
Chain sequence(s) A: KNFHLRPRDLFSNINVILRELKGSETTEEIEYADETETQVELFNRWITKVQSDISTKT
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                                          (00:02:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:32)
Show buried residues

Minimal score value
-2.9376
Maximal score value
1.6231
Average score
-1.0033
Total score value
-58.19

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 K A -1.8916
2 N A -1.3192
3 F A 0.3308
4 H A -0.8759
5 L A -0.7380
6 R A -2.3349
7 P A -1.7987
8 R A -2.6503
9 D A -2.6671
10 L A -0.5141
11 F A 0.7117
12 S A -0.0982
13 N A -0.2796
14 I A 1.0179
15 N A 0.5925
16 V A 1.2744
17 I A 1.2512
18 L A 0.1878
19 R A -1.7217
20 E A -1.5265
21 L A -0.0844
22 K A -2.1380
23 G A -2.1134
24 S A -1.8673
25 E A -2.6837
26 T A -2.1992
27 T A -2.1136
28 E A -2.9376
29 E A -2.1443
30 I A 0.1030
31 E A -1.3743
32 Y A -0.0121
33 A A -0.9357
34 D A -2.7747
35 E A -2.7805
36 T A -2.2035
37 E A -1.8426
38 T A -0.7806
39 Q A -0.2691
40 V A 1.0683
41 E A -0.2099
42 L A 0.6348
43 F A 1.6231
44 N A -0.0664
45 R A -1.0505
46 W A 0.4702
47 I A 0.2207
48 T A -1.0276
49 K A -1.9758
50 V A -1.0484
51 Q A -1.6045
52 S A -1.7903
53 D A -2.4598
54 I A -1.0466
55 S A -1.2392
56 T A -1.4820
57 K A -2.0367
58 T A -0.9683
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Laboratory of Theory of Biopolymers 2018