Project name: f50bf6ed1949805

Status: done

Started: 2025-08-12 10:28:06
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Chain sequence(s) A: QVQLVESGGGLVQPGGSLRLSCAASGDMDVPFSQYSLGWFRQAPGQGLEAVAAINGQTGTTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAATETQTSNMLSPENYDYWGQGTLVTVSS
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)
Show buried residues

Minimal score value
-3.0381
Maximal score value
1.781
Average score
-0.8189
Total score value
-104.8151

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 Q A -2.2624
2 V A -1.9347
3 Q A -1.5686
4 L A 0.0000
5 V A 0.2895
6 E A 0.0000
7 S A -0.2345
8 G A -0.6186
9 G A 0.1518
10 G A 0.6301
11 L A 1.3035
12 V A 0.0000
13 Q A -1.5263
14 P A -1.9021
15 G A -1.6620
16 G A -1.1848
17 S A -1.6182
18 L A -1.1425
19 R A -2.3658
20 L A 0.0000
21 S A -0.5905
22 C A 0.0000
23 A A -0.4118
24 A A 0.0000
25 S A -1.3389
26 G A -2.1633
27 D A -2.8642
28 M A -2.0609
29 D A -2.3782
30 V A -1.1655
31 P A -0.9825
32 F A 0.0000
33 S A -1.4085
34 Q A -1.8384
35 Y A 0.0000
36 S A 0.0000
37 L A 0.0000
38 G A 0.0000
39 W A 0.0000
40 F A 0.0000
41 R A 0.0000
42 Q A -0.6899
43 A A -0.9588
44 P A -0.9617
45 G A -1.2782
46 Q A -1.8234
47 G A -1.1762
48 L A -0.3064
49 E A -0.7730
50 A A -0.2909
51 V A 0.0000
52 A A 0.0000
53 A A 0.0000
54 I A 0.0000
55 N A -1.0676
56 G A 0.0000
57 Q A -1.8257
58 T A -0.8867
59 G A -0.7318
60 T A -0.2674
61 T A 0.1643
62 Y A 0.1369
63 Y A -0.5238
64 A A -1.1989
65 D A -2.4180
66 S A -1.7466
67 V A 0.0000
68 K A -2.5471
69 G A -1.8545
70 R A -1.9985
71 F A 0.0000
72 T A -1.0247
73 I A 0.0000
74 S A -0.5807
75 R A -1.4389
76 D A -2.0615
77 N A -2.4903
78 S A -1.9458
79 K A -2.6241
80 N A -2.0357
81 T A 0.0000
82 L A 0.0000
83 Y A -0.7972
84 L A 0.0000
85 Q A -1.8000
86 M A 0.0000
87 N A -2.2050
88 S A -1.6748
89 L A 0.0000
90 R A -3.0381
91 A A -2.0511
92 E A -2.4586
93 D A 0.0000
94 T A -0.5146
95 A A 0.0000
96 V A 0.9195
97 Y A 0.0000
98 Y A 0.3087
99 C A 0.0000
100 A A 0.0000
101 A A 0.0000
102 T A 0.0000
103 E A -2.0082
104 T A -1.5382
105 Q A -1.9708
106 T A -1.3126
107 S A -1.1352
108 N A -1.6394
109 M A 0.0000
110 L A -0.2622
111 S A -0.9884
112 P A -1.2918
113 E A -2.4300
114 N A -2.1148
115 Y A 0.0000
116 D A -2.0289
117 Y A -0.7209
118 W A -0.0807
119 G A -0.2534
120 Q A -0.9592
121 G A 0.0000
122 T A 0.6199
123 L A 1.7810
124 V A 0.0000
125 T A 0.2697
126 V A 0.0000
127 S A -0.8292
128 S A -0.5367
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Laboratory of Theory of Biopolymers 2018