Project name: 81e9bb4db318310

Status: done

Started: 2026-06-18 07:58:30
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Chain sequence(s) A: EVQLLESGGGLVQPGGSLRLSCAASGFTFSKQYMSWVRQAPGKGIEWLSTISARGGSTSYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDLKFLWAPTGGQGTQVTVSS
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                                          (00:01:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)
Show buried residues

Minimal score value
-2.6365
Maximal score value
0.9973
Average score
-0.7352
Total score value
-86.7575

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 E A -1.9678
2 V A -1.1219
3 Q A -1.1883
4 L A 0.0000
5 L A 0.7874
6 E A -0.1113
7 S A -0.7440
8 G A -1.2493
9 G A -0.8644
10 G A -0.1040
11 L A 0.9428
12 V A 0.0000
13 Q A -1.3772
14 P A -1.4966
15 G A -1.3305
16 G A -0.9434
17 S A -1.3205
18 L A -1.0211
19 R A -2.2633
20 L A 0.0000
21 S A -0.4965
22 C A 0.0000
23 A A -0.1962
24 A A 0.0000
25 S A -0.7426
26 G A -1.1227
27 F A -0.7311
28 T A -0.6888
29 F A 0.0000
30 S A -1.7361
31 K A -1.9739
32 Q A -1.0445
33 Y A 0.2354
34 M A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -1.0013
40 A A -1.3819
41 P A -1.1023
42 G A -1.5309
43 K A -2.3003
44 G A -1.2286
45 I A -0.1901
46 E A -0.3969
47 W A 0.4047
48 L A 0.0000
49 S A 0.0000
50 T A 0.1938
51 I A 0.0000
52 S A -0.7343
53 A A -1.4086
54 R A -2.4600
55 G A -1.4027
56 G A -1.2670
57 S A -0.7448
58 T A -0.2087
59 S A -0.5633
60 Y A -0.9135
61 A A -1.3012
62 D A -2.4913
63 S A -1.6812
64 V A 0.0000
65 K A -2.6365
66 G A -1.7665
67 R A -1.5919
68 F A 0.0000
69 T A -0.9715
70 I A 0.0000
71 S A -0.5066
72 R A -1.1820
73 D A -1.6515
74 N A -2.0905
75 S A -1.5399
76 K A -2.3193
77 N A -1.6746
78 T A -0.9785
79 L A 0.0000
80 Y A -0.6508
81 L A 0.0000
82 Q A -1.5513
83 M A 0.0000
84 N A -1.4666
85 S A -1.1940
86 L A 0.0000
87 R A -2.0721
88 A A -1.6143
89 E A -2.1605
90 D A 0.0000
91 T A -0.8319
92 A A 0.0000
93 V A -0.3144
94 Y A 0.0000
95 Y A -0.0850
96 C A 0.0000
97 A A 0.0000
98 K A -0.8822
99 D A -1.0500
100 L A 0.2833
101 K A -1.1133
102 F A 0.0000
103 L A 0.5627
104 W A 0.9973
105 A A 0.3160
106 P A -0.3206
107 T A -0.6996
108 G A -0.6494
109 G A -0.5371
110 Q A -1.1468
111 G A -0.6851
112 T A -0.7897
113 Q A -1.1578
114 V A 0.0000
115 T A -0.3012
116 V A 0.0000
117 S A -0.6533
118 S A -0.4997
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Laboratory of Theory of Biopolymers 2018