Project name: 7febbb91f1f5558

Status: done

Started: 2026-03-18 17:17:18
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Chain sequence(s) A: QVQLVESGGGSVQAGGSLRLSCTASGFTFSSFGLGWFRQAPGQEREAVAAISSGSSTIYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSS
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)
Show buried residues

Minimal score value
-3.6063
Maximal score value
1.1906
Average score
-0.801
Total score value
-102.5309

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 -1.4920
2 V A -0.9133
3 Q A -1.0178
4 L A 0.0000
5 V A 1.1906
6 E A 0.0000
7 S A -0.4426
8 G A -1.2488
9 G A -1.1624
10 G A -0.9484
11 S A -0.7316
12 V A -0.8204
13 Q A -1.7376
14 A A -1.7996
15 G A -1.7469
16 G A -1.3335
17 S A -1.4029
18 L A -1.2005
19 R A -2.1098
20 L A 0.0000
21 S A -0.4530
22 C A 0.0000
23 T A -0.1950
24 A A 0.0000
25 S A -0.8701
26 G A -1.0012
27 F A -0.3275
28 T A -0.1575
29 F A 0.0000
30 S A -0.7779
31 S A -0.5761
32 F A -0.3229
33 G A -0.4894
34 L A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -1.8636
40 A A -1.7393
41 P A -1.1976
42 G A -1.6869
43 Q A -2.8210
44 E A -3.2815
45 R A -2.3785
46 E A -1.9270
47 A A 0.0000
48 V A 0.0000
49 A A 0.0000
50 A A 0.0000
51 I A 0.0000
52 S A 0.0000
53 S A -1.0161
54 G A -0.8089
55 S A -0.5090
56 S A -0.4755
57 T A -0.1483
58 I A 0.9057
59 Y A 0.2145
60 Y A -0.4899
61 A A -1.4003
62 D A -2.4545
63 S A -1.7667
64 V A 0.0000
65 K A -2.5803
66 G A -1.8668
67 R A -1.7614
68 F A 0.0000
69 T A -0.6324
70 I A 0.0000
71 S A -0.3740
72 R A -1.1917
73 D A -1.7362
74 N A -1.8469
75 A A -1.4424
76 K A -2.3155
77 N A -1.6904
78 T A -1.0558
79 V A 0.0000
80 T A -0.7527
81 L A 0.0000
82 Q A -1.1373
83 M A 0.0000
84 N A -1.7776
85 N A -2.2032
86 L A 0.0000
87 K A -2.2752
88 P A -1.7487
89 E A -2.2151
90 D A 0.0000
91 T A -1.0736
92 A A 0.0000
93 I A -0.3727
94 Y A 0.0000
95 Y A -0.1964
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 A A 0.0000
100 G A 0.3004
101 V A 0.5078
102 R A -1.9777
103 A A -2.5144
104 E A -3.3234
105 D A -3.6063
106 G A -2.9681
107 R A -2.9692
108 V A 0.0000
109 R A -0.5277
110 T A 0.0416
111 L A 0.8464
112 P A -0.2105
113 S A -0.0701
114 E A -0.0015
115 Y A 0.0000
116 T A 0.2600
117 F A 0.2961
118 W A 0.2980
119 G A -0.0290
120 Q A -0.8106
121 G A 0.0000
122 T A -0.6356
123 Q A -1.2408
124 V A 0.0000
125 T A -0.9604
126 V A 0.0000
127 S A -1.2016
128 S A -0.8555
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Laboratory of Theory of Biopolymers 2018