Project name: 9eedf5656d4c40c

Status: done

Started: 2025-07-13 13:05:34
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Chain sequence(s) A: QVQLVESGGALVQPGGSLRLTCKPLGANFDTYAVAWFRQAPGKERVGSMLNKGDEDKYYSDAVKGRFTISWNDAKNMVFLEMTDLMADDTGVYYCAGGWFAPLIAAVTYGSPFEYANWGQGTQVTVS
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)
Show buried residues

Minimal score value
-3.4753
Maximal score value
1.6524
Average score
-0.7109
Total score value
-90.2851

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 -1.3810
2 V A -0.9407
3 Q A -1.3309
4 L A 0.0000
5 V A -0.1869
6 E A -0.6298
7 S A -0.9092
8 G A -1.0098
9 G A -0.6464
10 A A 0.1019
11 L A 1.1306
12 V A 0.1975
13 Q A -1.2719
14 P A -1.3741
15 G A -1.6809
16 G A -1.1566
17 S A -1.4417
18 L A -1.0499
19 R A -2.0609
20 L A 0.0000
21 T A -0.7556
22 C A 0.0000
23 K A -1.0383
24 P A 0.0000
25 L A -0.2354
26 G A -0.7984
27 A A -1.1941
28 N A -2.0452
29 F A 0.0000
30 D A -2.5718
31 T A -0.8626
32 Y A -0.0392
33 A A 0.0000
34 V A 0.0000
35 A A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -1.3927
40 A A -1.5847
41 P A -1.3683
42 G A -1.9412
43 K A -2.9728
44 E A -2.9316
45 R A -1.6337
46 V A 0.2628
47 G A 0.5534
48 S A 0.0000
49 M A 0.0000
50 L A 0.0000
51 N A 0.0000
52 K A -2.1316
53 G A -2.8072
54 D A -3.3030
55 E A -3.4753
56 D A -2.6115
57 K A -1.7816
58 Y A -0.2765
59 Y A -0.6301
60 S A -0.8853
61 D A -2.2891
62 A A -1.5298
63 V A 0.0000
64 K A -2.4456
65 G A -1.8224
66 R A -1.6358
67 F A 0.0000
68 T A -1.0133
69 I A 0.0000
70 S A -0.9429
71 W A -1.2074
72 N A -1.7034
73 D A -2.9613
74 A A -1.7547
75 K A -2.4963
76 N A -2.3519
77 M A -1.3526
78 V A 0.0000
79 F A 0.0000
80 L A 0.0000
81 E A -1.7370
82 M A 0.0000
83 T A -1.6638
84 D A -2.2883
85 L A 0.0000
86 M A -0.9951
87 A A -0.9123
88 D A -1.6627
89 D A 0.0000
90 T A -0.5140
91 G A 0.0000
92 V A -0.4296
93 Y A 0.0000
94 Y A -0.3328
95 C A 0.0000
96 A A 0.0000
97 G A 0.0000
98 G A 0.0000
99 W A 1.6524
100 F A 0.9355
101 A A 0.6144
102 P A 0.5124
103 L A 0.0000
104 I A 0.8198
105 A A 0.5253
106 A A 0.0000
107 V A 0.8847
108 T A 0.7494
109 Y A 1.1046
110 G A 0.3452
111 S A -0.1310
112 P A -0.4328
113 F A -0.4551
114 E A -1.1732
115 Y A 0.6826
116 A A 0.5362
117 N A -0.2593
118 W A -0.1001
119 G A -0.7537
120 Q A -1.1959
121 G A -0.7595
122 T A -0.8298
123 Q A -0.9392
124 V A 0.0000
125 T A -0.0069
126 V A 0.0000
127 S A -0.4768
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Laboratory of Theory of Biopolymers 2018