Project name: 91e5c66da292fd7

Status: done

Started: 2026-02-23 06:34:21
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Chain sequence(s) A: MNSLIAVVFVLGLVAAQASVLGLGGSAVLVGPGNPGAVVKGPAAAGSVIGPDGSVVSGGGDTGGIVAGPIPGGVVTGAVAPGGIAVGHGGLGLGLGLGLGGIVAPGIVAPGVVLGGHGW
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-2.5088
Maximal score value
5.8447
Average score
1.334
Total score value
158.7412

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 1.3233
2 N A 0.5228
3 S A 1.7925
4 L A 3.6967
5 I A 4.6034
6 A A 3.9645
7 V A 5.2695
8 V A 5.7617
9 F A 5.8447
10 V A 5.6311
11 L A 5.0900
12 G A 3.3014
13 L A 3.5556
14 V A 3.0652
15 A A 1.6089
16 A A 1.0139
17 Q A 0.4346
18 A A 0.8774
19 S A 1.1405
20 V A 2.3512
21 L A 2.2011
22 G A 1.5173
23 L A 2.1492
24 G A 0.7603
25 G A 0.2628
26 S A 0.5412
27 A A 1.6203
28 V A 3.6959
29 L A 4.1649
30 V A 3.6692
31 G A 1.3481
32 P A -0.0765
33 G A -0.8199
34 N A -1.2693
35 P A -0.8422
36 G A 0.1432
37 A A 1.5163
38 V A 3.3232
39 V A 2.6674
40 K A -0.3071
41 G A -0.9336
42 P A -0.9941
43 A A -1.2973
44 A A -0.8466
45 A A -0.9588
46 G A -0.2637
47 S A 1.5514
48 V A 3.3956
49 I A 3.3372
50 G A 1.0827
51 P A -0.5237
52 D A -1.6747
53 G A -0.1662
54 S A 1.1193
55 V A 3.3525
56 V A 3.2596
57 S A 1.2597
58 G A -0.4344
59 G A -1.4651
60 G A -1.7342
61 D A -2.5088
62 T A -1.8657
63 G A -0.9827
64 G A 0.6006
65 I A 3.1689
66 V A 3.3922
67 A A 2.0152
68 G A 0.6092
69 P A 0.0063
70 I A 0.8726
71 P A 0.2076
72 G A 0.5012
73 G A 1.4889
74 V A 3.7819
75 V A 3.8644
76 T A 2.3137
77 G A 1.0790
78 A A 0.8617
79 V A 1.5929
80 A A 0.6659
81 P A 0.3534
82 G A -0.0308
83 G A 0.4717
84 I A 2.1090
85 A A 1.4336
86 V A 1.7502
87 G A -0.0082
88 H A -0.8889
89 G A -0.7441
90 G A -0.2638
91 L A 1.1777
92 G A 0.8722
93 L A 1.7207
94 G A 1.1250
95 L A 1.7067
96 G A 1.1212
97 L A 1.7275
98 G A 0.8725
99 L A 1.5369
100 G A 0.8693
101 G A 1.2034
102 I A 2.7045
103 V A 2.4287
104 A A 1.4962
105 P A 1.0146
106 G A 1.2547
107 I A 2.5742
108 V A 2.4631
109 A A 1.4608
110 P A 0.9414
111 G A 1.2939
112 V A 2.7309
113 V A 3.0171
114 L A 2.3668
115 G A 0.5007
116 G A -0.4887
117 H A -1.0943
118 G A -0.5529
119 W A 0.6694
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Laboratory of Theory of Biopolymers 2018