Project name: fff097d09ab679d

Status: done

Started: 2025-08-12 14:08:35
Settings
Chain sequence(s) A: MQVQLVESGGGSVQAGGSLRLSCTASGTKELKYAAFDLGWFRQAPGQEREAVAAIDRDGGITYYADSVKGRFTISRDNAKNTVTLQMNNLKPVDTAIYYCAARRSRNRTYESWGQGTQVTVSGGGGSHHHHHHLESRLEEELRRRLTE
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)
Show buried residues

Minimal score value
-3.6353
Maximal score value
1.2207
Average score
-1.138
Total score value
-168.4171

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 0.0279
2 Q A -1.3878
3 V A -1.2583
4 Q A -1.3615
5 L A 0.0000
6 V A 0.4847
7 E A 0.0000
8 S A -0.6248
9 G A -1.2381
10 G A -1.1860
11 G A -0.9389
12 S A -0.6946
13 V A -0.8159
14 Q A -1.9230
15 A A -1.7276
16 G A -1.9560
17 G A -1.4166
18 S A -1.5245
19 L A -1.2695
20 R A -2.2148
21 L A 0.0000
22 S A -0.5944
23 C A 0.0000
24 T A -0.3785
25 A A 0.0000
26 S A -0.8736
27 G A -0.9582
28 T A -0.7337
29 K A -1.2750
30 E A 0.0000
31 L A -0.1178
32 K A -1.5424
33 Y A 0.0000
34 A A -1.5745
35 A A -1.5358
36 F A -1.6691
37 D A 0.0000
38 L A 0.0000
39 G A 0.0000
40 W A 0.0000
41 F A -0.2350
42 R A 0.0000
43 Q A -1.9890
44 A A -1.2166
45 P A -1.1977
46 G A -1.6779
47 Q A -2.7380
48 E A -3.5929
49 R A -3.1495
50 E A -2.2138
51 A A -0.8023
52 V A 0.0000
53 A A 0.0000
54 A A 0.6127
55 I A 0.0000
56 D A 0.0000
57 R A -2.3674
58 D A -2.6363
59 G A -1.5343
60 G A -0.5529
61 I A 1.1491
62 T A 1.1438
63 Y A 1.2207
64 Y A -0.2483
65 A A -1.0898
66 D A -2.3681
67 S A -1.3870
68 V A 0.0000
69 K A -2.4570
70 G A -1.8917
71 R A -1.8369
72 F A 0.0000
73 T A -0.7728
74 I A 0.0000
75 S A -0.4801
76 R A -1.6851
77 D A -2.0654
78 N A -2.6535
79 A A -1.4077
80 K A -2.1701
81 N A -1.5585
82 T A -1.0910
83 V A 0.0000
84 T A -0.7879
85 L A 0.0000
86 Q A -1.3690
87 M A 0.0000
88 N A -1.9773
89 N A -2.3505
90 L A 0.0000
91 K A -1.5628
92 P A -0.4460
93 V A 1.1687
94 D A 0.0000
95 T A 0.0642
96 A A 0.0000
97 I A -0.3586
98 Y A 0.0000
99 Y A -0.1540
100 C A 0.0000
101 A A 0.0000
102 A A 0.0000
103 R A -2.2846
104 R A -3.0191
105 S A -2.2836
106 R A -2.8925
107 N A -2.8989
108 R A -2.6702
109 T A -1.8040
110 Y A -1.5323
111 E A -2.3957
112 S A -1.3761
113 W A -0.3298
114 G A -0.3172
115 Q A -1.0450
116 G A 0.0000
117 T A 0.0000
118 Q A -1.3402
119 V A 0.0000
120 T A -0.5296
121 V A 0.0000
122 S A -1.1788
123 G A -1.5696
124 G A -1.7034
125 G A -1.2956
126 G A -1.4681
127 S A -1.5787
128 H A -2.3376
129 H A -2.4965
130 H A -2.4495
131 H A -2.3644
132 H A -1.9672
133 H A -1.8150
134 L A -0.2520
135 E A -1.6722
136 S A -2.1358
137 R A -2.3256
138 L A -0.6238
139 E A -2.4935
140 E A -3.6353
141 E A -2.8756
142 L A -1.5220
143 R A -2.7321
144 R A -3.6025
145 R A -2.9534
146 L A -1.4026
147 T A -1.7925
148 E A -2.4632
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Laboratory of Theory of Biopolymers 2018