Project name: igf

Status: done

Started: 2025-11-12 06:02:28
Settings
Chain sequence(s) A: MFPAMPLSSLFVNGPRTLCGAELVDALQFVCGDRGFYFNKPTGYGSSSRRAPQTGIVDECCFRSCDLRRLEMYCAPLKPAKSAHHHHHH
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)
Show buried residues

Minimal score value
-3.0656
Maximal score value
2.9079
Average score
-0.5963
Total score value
-53.0672

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 1.9444
2 F A 2.4878
3 P A 1.2851
4 A A 1.2846
5 M A 1.6152
6 P A 0.9166
7 L A 1.8319
8 S A 1.3259
9 S A 1.6287
10 L A 2.9079
11 F A 2.7464
12 V A 2.0397
13 N A -0.3500
14 G A -0.8500
15 P A -1.6340
16 R A -2.0154
17 T A -0.5841
18 L A 0.0000
19 C A 0.6163
20 G A -0.3018
21 A A -0.9721
22 E A -1.6035
23 L A 0.0000
24 V A -0.5359
25 D A -1.8912
26 A A 0.0000
27 L A 0.0000
28 Q A -1.3380
29 F A 0.6098
30 V A -0.0947
31 C A 0.0000
32 G A -1.4032
33 D A -2.0382
34 R A -1.5844
35 G A -0.6708
36 F A 0.0013
37 Y A 0.6616
38 F A 0.6930
39 N A -1.3258
40 K A -1.5889
41 P A -1.1204
42 T A -0.9187
43 G A -0.5353
44 Y A 0.2444
45 G A -0.2519
46 S A -0.5930
47 S A -1.1962
48 S A -1.8328
49 R A -2.9476
50 R A -3.0656
51 A A -1.8144
52 P A -1.6607
53 Q A -2.1737
54 T A -1.0883
55 G A -0.8836
56 I A 0.0000
57 V A 0.4380
58 D A -0.2402
59 E A -0.6876
60 C A 0.0000
61 C A 0.0653
62 F A 0.7631
63 R A -1.4509
64 S A -1.5541
65 C A -1.6480
66 D A -2.3903
67 L A -1.0696
68 R A -2.3208
69 R A -1.9723
70 L A 0.0000
71 E A -1.0767
72 M A -0.1330
73 Y A 0.0000
74 C A 0.0000
75 A A 0.0000
76 P A -0.0867
77 L A -0.2009
78 K A -1.5505
79 P A -1.1385
80 A A -1.1841
81 K A -2.1800
82 S A -1.6307
83 A A -1.6923
84 H A -2.2983
85 H A -2.3178
86 H A -2.6303
87 H A -2.5682
88 H A -2.4182
89 H A -1.8700
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Laboratory of Theory of Biopolymers 2018