Project name: 8fcf7f4b9764312

Status: done

Started: 2026-06-03 11:26:15
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Chain sequence(s) A: DFMLTQPHSVSESPGKTVTISCTRSSGILASNSVQWFQQRPGSSPTTVIYGGIQRPSGVPDRFSGSFDSSSNSASLSISGLKTEDEADYYCQSYDSTNEGVFGGGTKLTVL
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)
Show buried residues

Minimal score value
-2.4265
Maximal score value
1.5454
Average score
-0.3959
Total score value
-43.9496

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 D A -2.0725
2 F A 0.0000
3 M A 0.6529
4 L A 0.0000
5 T A -0.0200
6 Q A -0.4280
7 P A -0.8147
8 H A -1.4048
9 S A -0.9113
10 V A -0.4252
11 S A -0.1373
12 E A -0.6022
13 S A -0.4787
14 P A -1.0051
15 G A -1.6760
16 K A -2.0352
17 T A -1.2467
18 V A 0.0000
19 T A -0.1990
20 I A 0.0000
21 S A 0.0250
22 C A 0.0000
23 T A -0.1471
24 R A 0.0676
25 S A -0.1811
26 S A -0.2751
27 G A -0.0240
28 I A 1.0949
29 L A 0.0000
30 A A 0.4348
31 S A 0.2409
32 N A -0.0412
33 S A 0.2328
34 V A 0.0000
35 Q A 0.1780
36 W A 0.0000
37 F A -0.1361
38 Q A 0.0000
39 Q A -1.5438
40 R A -2.3396
41 P A -1.4483
42 G A -1.0610
43 S A -1.0385
44 S A -0.7863
45 P A -0.7666
46 T A -0.3632
47 T A -0.0393
48 V A 0.0000
49 I A 0.0000
50 Y A 0.2443
51 G A -0.0890
52 G A 0.7354
53 I A 1.4476
54 Q A -0.5376
55 R A -1.1106
56 P A -0.8935
57 S A -0.8935
58 G A -0.8407
59 V A -0.7782
60 P A -1.2555
61 D A -2.1909
62 R A -1.2959
63 F A 0.0000
64 S A -0.3537
65 G A 0.0000
66 S A 0.8272
67 F A 1.4102
68 D A -0.3001
69 S A -0.1457
70 S A -0.3652
71 S A -0.3669
72 N A -0.1610
73 S A -0.0262
74 A A 0.0000
75 S A 0.2751
76 L A 0.0000
77 S A -0.2773
78 I A 0.0000
79 S A -1.2720
80 G A -1.5034
81 L A 0.0000
82 K A -2.1764
83 T A -1.4925
84 E A -2.4265
85 D A 0.0000
86 E A -1.9869
87 A A 0.0000
88 D A -1.6805
89 Y A 0.0000
90 Y A 0.0880
91 C A 0.0000
92 Q A 0.7274
93 S A 0.0000
94 Y A 0.5368
95 D A 0.0000
96 S A -0.8245
97 T A -1.0459
98 N A -1.9128
99 E A -1.7963
100 G A -0.3344
101 V A 0.4767
102 F A 1.5454
103 G A 0.6455
104 G A -0.3424
105 G A -0.6071
106 T A 0.0000
107 K A -1.4640
108 L A 0.0000
109 T A -0.3388
110 V A -0.2413
111 L A 1.1390
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Laboratory of Theory of Biopolymers 2018