Project name: Blg

Status: done

Started: 2026-03-08 14:57:50
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Chain sequence(s) A: IVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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                                          (00:04:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:55)
Show buried residues

Minimal score value
-4.1155
Maximal score value
0.8745
Average score
-1.1396
Total score value
-183.4763

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
2 I A 0.6348
3 V A 0.4109
4 T A 0.0761
5 Q A -0.7491
6 T A -0.7434
7 M A -1.2324
8 K A -1.9600
9 G A -1.2496
10 L A -1.2998
11 D A -1.6409
12 I A -1.5635
13 Q A -2.3650
14 K A -2.8137
15 V A 0.0000
16 A A -1.6189
17 G A -1.2686
18 T A -0.6759
19 W A 0.0000
20 Y A -0.5810
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 0.0000
28 D A -1.0935
29 I A 0.1697
30 S A -0.5517
31 L A 0.0000
32 L A 0.0000
33 D A -1.7434
34 A A -1.1689
35 Q A -1.6622
36 S A -1.8635
37 A A 0.0000
38 P A -0.7244
39 L A -0.2668
40 R A -0.5915
41 V A -0.3216
42 Y A 0.0000
43 V A 0.0000
44 E A -1.3679
45 E A -1.0553
46 L A 0.0000
47 K A -1.7073
48 P A -1.8647
49 T A -1.6384
50 P A -1.5533
51 E A -2.3894
52 G A -2.1244
53 D A -2.2136
54 L A 0.0000
55 E A -1.0219
56 I A -0.6873
57 L A -1.1239
58 L A 0.0000
59 Q A 0.0000
60 K A -1.6759
61 W A -2.2363
62 E A -2.9879
63 N A -2.8289
64 G A -2.4638
65 E A -3.0858
66 C A -1.8203
67 A A -1.8836
68 Q A -2.3043
69 K A -1.8442
70 K A -1.8625
71 I A -0.6441
72 I A -0.7944
73 A A 0.0000
74 E A -2.5259
75 K A -2.2129
76 T A -1.5758
77 K A -1.4861
78 I A -0.4068
79 P A -0.7261
80 A A 0.0000
81 V A 0.0000
82 F A 0.0000
83 K A -2.4829
84 I A -1.7508
85 D A -2.1971
86 A A -0.8087
87 L A 0.0006
88 N A -1.9188
89 E A -2.9014
90 N A -2.3493
91 K A -2.1582
92 V A -0.8190
93 L A 0.0000
94 V A 0.0000
95 L A 0.0000
96 D A -0.9718
97 T A 0.0000
98 D A -1.9664
99 Y A -2.1138
100 K A -2.7095
101 K A -2.3583
102 Y A 0.0000
103 L A 0.0000
104 L A 0.0000
105 F A 0.1245
106 C A 0.0000
107 M A 0.0000
108 E A -1.4718
109 N A -2.1840
110 S A -1.7977
111 A A -1.5017
112 E A -2.3921
113 P A -1.8290
114 E A -2.7805
115 Q A -2.7328
116 S A -1.9504
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 -1.3390
125 T A -1.2577
126 P A -1.4942
127 E A -1.9704
128 V A -1.0862
129 D A -2.2203
130 D A -3.4034
131 E A -3.6163
132 A A 0.0000
133 L A -2.6533
134 E A -4.1155
135 K A -3.5714
136 F A 0.0000
137 D A -3.0909
138 K A -3.4900
139 A A 0.0000
140 L A 0.0000
141 K A -2.5775
142 A A -0.9533
143 L A -0.7410
144 P A -0.9119
145 M A -0.9058
146 H A -0.9922
147 I A -0.6477
148 R A -1.2021
149 L A -0.5124
150 S A -0.3588
151 F A 0.0000
152 N A -1.4781
153 P A -1.7384
154 T A -1.4229
155 Q A -1.3003
156 L A 0.0000
157 E A -2.7250
158 E A -2.3029
159 Q A -1.6802
160 C A 0.0000
161 H A 0.0000
162 I A 0.8745
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Laboratory of Theory of Biopolymers 2018