Project name: blg

Status: done

Started: 2026-02-13 14:43:34
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Chain sequence(s) A: LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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                                          (00:03:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:51)
Show buried residues

Minimal score value
-4.0161
Maximal score value
1.3641
Average score
-1.0809
Total score value
-175.1021

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
17 L A 1.3641
18 I A 0.6483
19 V A 0.0000
20 T A -0.0690
21 Q A -1.2138
22 T A -0.9487
23 M A -1.1379
24 K A -2.0287
25 G A -1.3163
26 L A 0.0000
27 D A -1.6680
28 I A -1.5615
29 Q A -2.0981
30 K A -2.6146
31 V A 0.0000
32 A A -1.2898
33 G A -1.0226
34 T A -0.6588
35 W A 0.0000
36 Y A -0.6779
37 S A 0.0000
38 L A 0.0000
39 A A 0.0000
40 M A 0.0000
41 A A 0.0000
42 A A 0.0000
43 S A 0.0000
44 D A -0.9220
45 I A -0.0302
46 S A -0.5412
47 L A -0.4894
48 L A 0.0000
49 D A -1.8794
50 A A -1.3796
51 Q A -1.6526
52 S A -1.8710
53 A A 0.0000
54 P A -0.8778
55 L A 0.0000
56 R A -0.8361
57 V A 0.0000
58 Y A 0.0000
59 V A 0.0000
60 E A -1.0668
61 E A -1.3622
62 L A 0.0000
63 K A -1.4702
64 P A -1.7363
65 T A -1.5972
66 P A -1.4625
67 E A -2.5553
68 G A -2.3676
69 D A -2.4833
70 L A 0.0000
71 E A -1.0404
72 I A 0.0000
73 L A -1.2594
74 L A 0.0000
75 Q A -1.6432
76 K A 0.0000
77 W A -2.0632
78 E A -2.8981
79 N A -2.6463
80 G A -2.4517
81 E A -2.9825
82 C A -1.8250
83 A A -1.8493
84 Q A -2.3030
85 K A -2.0060
86 K A -1.9989
87 I A 0.0000
88 I A -0.4319
89 A A 0.0000
90 E A -3.3313
91 K A -3.3326
92 T A -2.1363
93 K A -1.6659
94 I A -0.5463
95 P A -1.0649
96 A A 0.0000
97 V A 0.0000
98 F A 0.0000
99 K A -2.5589
100 I A 0.0000
101 D A -2.3849
102 A A -1.3794
103 L A -0.8881
104 N A -1.7050
105 E A 0.0000
106 N A -1.7435
107 K A -1.5631
108 V A 0.0000
109 L A 0.0000
110 V A 0.0000
111 L A -0.5667
112 D A -0.8631
113 T A 0.0000
114 D A -1.3376
115 Y A -1.8051
116 K A -2.5816
117 K A -2.3409
118 Y A 0.0000
119 L A 0.0000
120 L A 0.0000
121 F A 0.0000
122 C A 0.0000
123 M A 0.0000
124 E A 0.0000
125 N A -1.8933
126 S A -0.9284
127 A A -1.3674
128 E A -2.8266
129 P A -1.8819
130 E A -2.7802
131 Q A -2.6583
132 S A 0.0000
133 L A 0.0000
134 A A 0.0000
135 C A 0.0000
136 Q A 0.0000
137 C A 0.0000
138 L A 0.0000
139 V A 0.0000
140 R A -1.5700
141 T A -1.2554
142 P A -1.5949
143 E A -2.0079
144 V A -0.7534
145 D A -2.0016
146 D A -3.1870
147 E A -3.5902
148 A A 0.0000
149 L A -2.5588
150 E A -4.0161
151 K A -3.2133
152 F A 0.0000
153 D A -3.2994
154 K A -3.3775
155 A A -2.2153
156 L A 0.0000
157 K A -2.4123
158 A A -0.9838
159 L A -0.8473
160 P A -0.8767
161 M A -0.8980
162 H A -0.7954
163 I A -0.6500
164 R A -1.1608
165 L A -0.4845
166 S A -0.3462
167 F A 0.0000
168 N A -1.5440
169 P A -1.6872
170 T A -1.4765
171 Q A -1.3983
172 L A 0.0000
173 E A -2.9289
174 E A -2.3397
175 Q A -2.0883
176 C A 0.0000
177 H A 0.0000
178 I A 0.8608
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Laboratory of Theory of Biopolymers 2018