Project name: 6a59e72a3fa442a

Status: done

Started: 2026-04-17 11:33:19
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Chain sequence(s) A: LIVTQTMMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLLRVYVEEELKPTPEGDLEILLQKWENGECAQKKIIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMMENSAEPEQSLACQCLVRTPEVDDEALEKFDKKALKALPMHIRLSSFNPTQLEEQCHI
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                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)
Show buried residues

Minimal score value
-3.9094
Maximal score value
1.2592
Average score
-1.0486
Total score value
-169.879

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 L A 1.2592
2 I A 0.6534
3 V A 0.0000
4 T A 0.3364
5 Q A -0.3561
6 T A -0.6077
7 M A -1.1539
8 K A -1.9420
9 G A -1.3744
10 L A 0.0000
11 D A -1.4517
12 I A -1.3696
13 Q A -2.1787
14 K A -2.4800
15 V A 0.0000
16 A A -1.2291
17 G A -0.9998
18 T A -0.7220
19 W A 0.0000
20 Y A -0.8011
21 S A 0.0000
22 L A 0.0000
23 A A 0.0000
24 M A 0.0000
25 A A 0.0000
26 A A 0.0000
27 S A -0.9141
28 D A -1.0630
29 I A 0.4258
30 S A -0.3203
31 L A -0.2798
32 L A 0.0000
33 D A -1.7608
34 A A -1.3096
35 Q A -1.7979
36 S A -1.7793
37 A A -0.9470
38 P A -0.6882
39 L A -0.2457
40 R A -0.6547
41 V A -0.2214
42 Y A 0.0000
43 V A 0.0000
44 E A -1.5926
45 E A -1.4526
46 L A 0.0000
47 K A -1.3573
48 P A -1.7068
49 T A -1.4566
50 P A -1.5224
51 E A -2.3162
52 G A 0.0000
53 D A -1.9693
54 L A 0.0000
55 E A -0.8699
56 I A 0.0000
57 L A -1.3582
58 L A 0.0000
59 Q A 0.0000
60 K A 0.0000
61 W A -2.0051
62 E A -2.7626
63 N A -2.6552
64 G A -2.3924
65 E A -3.0875
66 C A -1.8287
67 A A -1.8852
68 Q A -2.4021
69 K A -2.0511
70 K A -1.9387
71 I A -0.5234
72 I A -0.2757
73 A A 0.0000
74 E A -2.1081
75 K A -1.9363
76 T A -1.4027
77 K A -1.3779
78 I A -0.1392
79 P A -0.6213
80 A A 0.0000
81 V A -0.4437
82 F A 0.0000
83 K A -1.9432
84 I A -1.6684
85 D A -2.1845
86 A A -0.8499
87 L A 0.4926
88 N A -0.9902
89 E A -2.1999
90 N A -1.7718
91 K A -1.4502
92 V A 0.0000
93 L A 0.0000
94 V A 0.0000
95 L A 0.0000
96 D A -0.8879
97 T A 0.0000
98 D A -1.5308
99 Y A -1.9189
100 K A -2.7834
101 K A -2.8535
102 Y A 0.0000
103 L A 0.0000
104 L A 0.0000
105 F A 0.0000
106 C A 0.0000
107 M A -0.1722
108 E A 0.0000
109 N A -1.5638
110 S A -1.4893
111 A A -2.2752
112 E A -2.9538
113 P A -2.8032
114 E A -3.4633
115 Q A -2.6475
116 S A -1.7480
117 L A 0.0000
118 A A 0.0000
119 C A 0.0000
120 Q A 0.0000
121 C A 0.0000
122 L A 0.0000
123 V A 0.0000
124 R A -1.6644
125 T A -1.2838
126 P A -1.4217
127 E A -1.9021
128 V A -0.5394
129 D A -2.0440
130 D A -3.1097
131 E A -3.4431
132 A A 0.0000
133 L A -2.3996
134 E A -3.9094
135 K A -3.0213
136 F A 0.0000
137 D A -3.1870
138 K A -3.3625
139 A A -2.1243
140 L A 0.0000
141 K A -2.4712
142 A A -1.2157
143 L A 0.0000
144 P A -0.8141
145 M A -0.7249
146 H A -0.8371
147 I A -0.4839
148 R A -1.0583
149 L A -0.4691
150 S A -0.3446
151 F A 0.0000
152 N A -1.5675
153 P A -1.6559
154 T A -1.4417
155 Q A -1.3730
156 L A 0.0000
157 E A -2.9707
158 E A -2.4159
159 Q A -2.2172
160 C A 0.0000
161 H A 0.0000
162 I A 0.6623
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Laboratory of Theory of Biopolymers 2018