Project name: c693521fc01b37

Status: done

Started: 2025-07-24 03:24:43
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Chain sequence(s) A: FGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGSASNAGSGSGFNGGFGSSMDSKSSGWGM
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-3.5927
Maximal score value
2.27
Average score
-0.6682
Total score value
-88.2016

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 F A 1.2343
2 G A -0.3143
3 N A -1.7894
4 Q A -1.8664
5 G A -1.2297
6 G A -0.3939
7 F A 0.9337
8 G A -0.5879
9 N A -1.7878
10 S A -1.8220
11 R A -2.7542
12 G A -1.9497
13 G A -1.3918
14 G A -0.8938
15 A A -0.1870
16 G A -0.2054
17 L A 0.4789
18 G A -1.0349
19 N A -2.1614
20 N A -2.5736
21 Q A -2.7226
22 G A -1.9871
23 S A -1.3550
24 N A -1.4126
25 M A -0.0492
26 G A -0.5426
27 G A -0.7285
28 G A -0.3886
29 M A 0.5425
30 N A 0.1355
31 F A 2.0020
32 G A 0.8954
33 A A 1.2641
34 F A 2.2700
35 S A 1.1059
36 I A 1.4985
37 N A -0.1543
38 P A -0.0011
39 A A 0.2386
40 M A 0.8110
41 M A 0.8897
42 A A 0.3264
43 A A 0.1266
44 A A 0.0062
45 Q A -0.8840
46 A A -0.5253
47 A A -0.2150
48 L A -0.1320
49 Q A -0.7925
50 S A -0.2600
51 S A 0.4131
52 W A 1.2961
53 G A 0.6338
54 M A 1.4665
55 M A 1.8215
56 G A 0.7588
57 M A 1.0389
58 L A 0.7719
59 A A -0.4319
60 S A -1.1386
61 Q A -2.2823
62 Q A -2.6266
63 N A -2.8768
64 Q A -2.9442
65 S A -2.1239
66 G A -1.5997
67 P A -1.1117
68 S A -1.3978
69 G A -1.8612
70 N A -2.7032
71 N A -3.1677
72 Q A -3.2625
73 N A -3.2086
74 Q A -2.6888
75 G A -1.9646
76 N A -1.9188
77 M A -1.2014
78 Q A -2.5209
79 R A -3.4512
80 E A -3.5927
81 P A -2.7210
82 N A -2.5031
83 Q A -1.6805
84 A A -0.1388
85 F A 1.1411
86 G A -0.0872
87 S A -0.6325
88 G A -1.4692
89 N A -2.1328
90 N A -1.8035
91 S A -0.6806
92 Y A 0.4359
93 S A -0.2057
94 G A -0.7271
95 S A -1.0507
96 N A -1.7723
97 S A -1.1606
98 G A -0.6696
99 A A 0.1271
100 A A 0.7669
101 I A 2.0151
102 G A 0.9387
103 W A 1.2230
104 G A 0.1031
105 S A -0.4421
106 A A -0.4816
107 S A -0.9512
108 N A -1.4979
109 A A -0.9354
110 G A -0.9787
111 S A -0.9196
112 G A -0.6872
113 S A -0.4472
114 G A -0.1696
115 F A 0.7983
116 N A -0.6015
117 G A -0.3859
118 G A -0.0729
119 F A 1.1233
120 G A 0.2221
121 S A -0.0492
122 S A -0.2671
123 M A -0.3464
124 D A -1.9942
125 S A -1.7226
126 K A -2.4111
127 S A -1.4291
128 S A -0.7930
129 G A -0.3033
130 W A 0.9065
131 G A 0.4644
132 M A 1.0637
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Laboratory of Theory of Biopolymers 2018