Project name: 620f3f2d1d07b37

Status: done

Started: 2025-03-28 17:43:50
Chain sequence(s) A: EYEERIEEVMERVERLVEEMRRLSEETHRRERESGRDLERSEILLHHTEDSEEHMRTTRELMLSPEVQEDPERLERMMKNTLESHRQNLERMRLLRESIEE
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations Yes
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 minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:04:13)
[CRITICAL]   AutoMut:  Couldn't find residues suitable for automated mutations (exceeding a        
                       threshold of -0.20). No automated mutations performed.                      (00:04:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:14)
Show buried residues
Minimal score value
-4.8837
Maximal score value
0.0
Average score
-2.4553
Total score value
-247.9832
Download the table (csv)

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 E A -2.8674
2 Y A -2.8196
3 E A -4.0481
4 E A -4.5579
5 R A -3.9264
6 I A 0.0000
7 E A -4.7758
8 E A -4.3500
9 V A 0.0000
10 M A 0.0000
11 E A -4.8029
12 R A -4.4148
13 V A 0.0000
14 E A -4.5498
15 R A -4.3190
16 L A -3.2587
17 V A 0.0000
18 E A -3.4124
19 E A -3.1875
20 M A 0.0000
21 R A -3.7253
22 R A -3.6988
23 L A -2.8038
24 S A 0.0000
25 E A -3.7818
26 E A -4.1878
27 T A 0.0000
28 H A -3.9479
29 R A -4.8186
30 R A -4.8837
31 E A 0.0000
32 R A -4.6847
33 E A -4.3256
34 S A -3.1609
35 G A -2.9280
36 R A -3.1486
37 D A -2.3885
38 L A -2.3958
39 E A -2.4071
40 R A -1.7271
41 S A 0.0000
42 E A -1.7098
43 I A -0.9031
44 L A 0.0000
45 L A -2.0193
46 H A -2.2993
47 H A -2.5312
48 T A 0.0000
49 E A -4.1609
50 D A -4.3953
51 S A 0.0000
52 E A -4.7443
53 E A -4.2327
54 H A -3.7456
55 M A -3.4533
56 R A -4.0579
57 T A -2.5381
58 T A -1.8439
59 R A -2.7561
60 E A -2.3583
61 L A -0.7702
62 M A 0.0000
63 L A -0.9164
64 S A -1.2113
65 P A -1.6899
66 E A -2.6495
67 V A 0.0000
68 Q A -2.6519
69 E A -3.3446
70 D A -2.8490
71 P A -2.3844
72 E A -3.2825
73 R A -3.3019
74 L A 0.0000
75 E A -2.8418
76 R A -3.5760
77 M A -2.4395
78 M A 0.0000
79 K A -3.3319
80 N A -3.3549
81 T A 0.0000
82 L A -2.7954
83 E A -3.6364
84 S A -2.8731
85 H A 0.0000
86 R A -3.7262
87 Q A -3.6584
88 N A -2.8270
89 L A -2.7463
90 E A -3.0289
91 R A -2.4123
92 M A 0.0000
93 R A -2.1531
94 L A -0.7316
95 L A -1.0732
96 R A -2.1200
97 E A -2.9674
98 S A -2.0979
99 I A 0.0000
100 E A -3.2448
101 E A -3.2421
Download PDB file
View in 3Dmol

Automated mutations analysis - charged mutations

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file .

It seems that no suitable candidates for mutation were found. Please see the simualtion's log