Project name: 272aba8dff0076e

Status: done

Started: 2025-02-24 21:54:59
Settings
Chain sequence(s) A: MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)
Show buried residues

Minimal score value
-3.7529
Maximal score value
1.1195
Average score
-1.4356
Total score value
-80.3935

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 M A 0.6354
2 T A -0.5690
3 Y A 0.0000
4 K A -1.7966
5 L A 0.0000
6 I A -1.1132
7 L A 0.0000
8 N A -1.8715
9 G A -2.5398
10 K A -2.4413
11 T A -1.2565
12 L A -1.3013
13 K A -2.3569
14 G A -1.6787
15 E A -2.3488
16 T A -1.0677
17 T A -1.2071
18 T A 0.0000
19 E A -1.3795
20 A A 0.0000
21 V A 1.1195
22 D A -0.4211
23 A A -0.8018
24 A A -0.7777
25 T A -1.1179
26 A A 0.0000
27 E A -2.3304
28 K A -2.5182
29 V A -1.4486
30 F A 0.0000
31 K A -2.7968
32 Q A -2.4192
33 Y A -1.2898
34 A A 0.0000
35 N A -3.3268
36 D A -3.1393
37 N A -3.1071
38 G A -2.7743
39 V A 0.0000
40 D A -3.7529
41 G A -3.0184
42 E A -2.8715
43 W A -1.6018
44 T A -0.6996
45 Y A -0.9758
46 D A -2.0491
47 D A -2.5330
48 A A -1.4255
49 T A -1.4637
50 K A -2.0719
51 T A -1.7393
52 F A 0.0000
53 T A -0.7657
54 V A 0.0000
55 T A -2.4441
56 E A -3.5392
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Laboratory of Theory of Biopolymers 2018