Project name: (EAAAK)7(G4S)3(EAAAK)7

Status: done

Started: 2026-01-17 01:12:41
Settings
Chain sequence(s) A: EAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKGGGGSGGGGSGGGGSEAAAKEAAAKEAAAKEAAAKEAAAKEAAAKEAAAK
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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)
Show buried residues

Minimal score value
-3.6637
Maximal score value
-1.0068
Average score
-2.5007
Total score value
-212.5635

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 -2.4348
2 A A -1.8163
3 A A -1.6055
4 A A -2.0276
5 K A -3.3479
6 E A -3.4712
7 A A -2.3322
8 A A -2.1869
9 A A -2.5053
10 K A -3.6016
11 E A -3.6617
12 A A -2.5131
13 A A -2.1823
14 A A -2.5246
15 K A -3.6065
16 E A -3.6637
17 A A -2.5410
18 A A -2.1794
19 A A -2.4991
20 K A -3.6065
21 E A -3.6529
22 A A -2.5149
23 A A -2.1830
24 A A -2.4923
25 K A -3.6045
26 E A -3.6590
27 A A -2.5321
28 A A -2.1948
29 A A -2.5062
30 K A -3.4619
31 E A -3.5121
32 A A -2.2296
33 A A -1.9276
34 A A -2.2652
35 K A -2.9259
36 G A -2.1355
37 G A -1.7424
38 G A -1.6759
39 G A -1.5402
40 S A -1.0458
41 G A -1.1775
42 G A -1.2028
43 G A -1.1664
44 G A -1.1762
45 S A -1.0068
46 G A -1.1872
47 G A -1.5742
48 G A -1.6080
49 G A -1.4901
50 S A -1.9887
51 E A -2.9022
52 A A -2.1785
53 A A -1.8582
54 A A -2.1828
55 K A -3.3892
56 E A -3.5038
57 A A -2.5271
58 A A -2.1705
59 A A -2.4945
60 K A -3.5965
61 E A -3.6456
62 A A -2.5029
63 A A -2.1717
64 A A -2.4899
65 K A -3.5813
66 E A -3.6353
67 A A -2.5071
68 A A -2.1800
69 A A -2.4954
70 K A -3.5805
71 E A -3.6446
72 A A -2.5000
73 A A -2.1559
74 A A -2.4864
75 K A -3.5822
76 E A -3.6167
77 A A -2.4872
78 A A -2.1877
79 A A -2.3144
80 K A -3.3767
81 E A -3.3393
82 A A -1.9973
83 A A -1.5566
84 A A -1.7552
85 K A -2.2834
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Laboratory of Theory of Biopolymers 2018