Project name: 5f2e4a88711f9c1

Status: done

Started: 2026-04-19 12:01:24
Settings
Chain sequence(s) H: QVQLQESGGGLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARLYYGYRYYFDYWGQGTMVTVSS
input PDB
Selected Chain(s) H
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 H 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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)
Show buried residues

Minimal score value
-3.2509
Maximal score value
2.4564
Average score
-0.4405
Total score value
-52.8592

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 H -1.3405
2 V H -0.4783
3 Q H -0.9081
4 L H 0.0000
5 Q H -1.2909
6 E H -0.9365
7 S H -0.8167
8 G H -0.7236
9 G H -0.0603
11 G H 0.5374
12 L H 1.2547
13 V H -0.3024
14 K H -1.9628
15 P H -1.9765
16 G H -1.6303
17 G H -1.2991
18 S H -1.1202
19 L H -0.4619
20 K H -1.3886
21 L H 0.0000
22 S H -0.6488
23 C H 0.0000
24 A H -0.9098
25 A H 0.0000
26 S H -0.8715
27 G H -0.8687
28 F H -0.3127
29 T H -0.2153
30 F H 0.0000
35 S H -0.7335
36 S H -0.0583
37 Y H 0.5189
38 G H 0.0000
39 M H 0.0000
40 S H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.9784
45 T H -2.0637
46 P H -2.2185
47 D H -3.1128
48 K H -3.2509
49 R H -2.6874
50 L H -0.2366
51 E H -0.2154
52 W H 0.5399
53 V H 0.0000
54 A H 0.0000
55 T H 0.4622
56 I H 0.0000
57 S H 0.1778
58 S H -0.2732
59 G H -0.5619
62 G H -0.2551
63 S H 0.1672
64 Y H 1.2085
65 T H 0.8970
66 Y H 0.5633
67 Y H -0.4571
68 P H -1.0926
69 D H -2.3087
70 S H -1.6691
71 V H 0.0000
72 K H -2.0399
74 G H -1.4575
75 R H -1.6421
76 F H 0.0000
77 T H -0.6194
78 I H 0.0000
79 S H -0.2058
80 R H -0.9198
81 D H -1.3934
82 N H -1.5359
83 A H -1.3102
84 K H -2.2281
85 N H -1.7092
86 T H -1.2107
87 L H 0.0000
88 Y H -0.3781
89 L H 0.0000
90 Q H -1.0273
91 M H 0.0000
92 S H -1.0930
93 S H -1.3395
94 L H 0.0000
95 K H -2.9610
96 S H -2.2775
97 E H -2.5133
98 D H 0.0000
99 T H -0.6980
100 A H 0.0000
101 M H 0.2746
102 Y H 0.0000
103 Y H 0.1637
104 C H 0.0000
105 A H 0.0000
106 R H 0.0000
107 L H 0.0000
108 Y H 2.4564
109 Y H 2.0700
110 G H 0.9004
111 Y H 0.8758
112 R H 0.0281
113 Y H 1.9491
114 Y H 2.3288
115 F H 1.7432
116 D H 1.0709
117 Y H 1.0949
118 W H 0.5353
119 G H -0.5530
120 Q H -1.3209
121 G H -0.5097
122 T H 0.0000
123 M H 0.7135
124 V H 0.0000
125 T H -0.0895
126 V H 0.0000
127 S H -1.0321
128 S H -0.6292
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Laboratory of Theory of Biopolymers 2018