Project name: a6ed84db65a378f

Status: done

Started: 2026-04-28 08:35:40
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Chain sequence(s) H: EGQLLESGGALVQPGGSLRLSCAASGFTFTSYAMSWVRQAPGKGLQWVAGINGGGDTTHYADSVKGRFTISRDNSKNTLSLQWNSLRAEDTAMYYCAKPAPLEYGDTSSYYYYGMDVWGQGTTVTVSS
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]                                                (00:00:01)
[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 H 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                                          (00:03:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:19)
Show buried residues

Minimal score value
-2.8764
Maximal score value
3.3126
Average score
-0.6661
Total score value
-85.2554

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 H -2.2909
2 G H -1.6205
3 Q H -1.4706
4 L H 0.0000
5 L H 0.9626
6 E H 0.0000
7 S H -0.4933
8 G H -0.9306
9 G H -0.3540
10 A H 0.4240
11 L H 1.1732
12 V H 0.0000
13 Q H -1.4979
14 P H -1.8681
15 G H -1.6455
16 G H -1.1977
17 S H -1.6242
18 L H -1.0889
19 R H -2.3004
20 L H 0.0000
21 S H -0.5511
22 C H 0.0000
23 A H -0.2565
24 A H 0.0000
25 S H -1.1799
26 G H -1.3967
27 F H -0.6073
28 T H -0.2783
29 F H 0.0000
30 T H -0.8403
31 S H -0.4939
32 Y H -0.4378
33 A H -0.4531
34 M H 0.0000
35 S H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H -0.5242
39 Q H -1.0980
40 A H -1.4440
41 P H -1.1977
42 G H -1.5232
43 K H -2.3345
44 G H -1.3680
45 L H -0.3275
46 Q H -0.6721
47 W H 0.1946
48 V H 0.0000
49 A H 0.0000
50 G H -0.5996
51 I H 0.0000
52 N H -2.1262
53 G H 0.0000
54 G H -1.7376
55 G H -1.9858
56 D H -2.4118
57 T H -1.7117
58 T H -1.2304
59 H H -1.4459
60 Y H -1.1694
61 A H -1.4594
62 D H -2.6454
63 S H -1.7967
64 V H 0.0000
65 K H -2.8368
66 G H -1.9883
67 R H -2.0269
68 F H 0.0000
69 T H -1.1761
70 I H 0.0000
71 S H -0.9159
72 R H -1.5661
73 D H -1.7758
74 N H -1.9403
75 S H -1.7077
76 K H -2.5147
77 N H -1.9835
78 T H -1.1798
79 L H 0.0000
80 S H -0.8376
81 L H 0.0000
82 Q H -1.5466
83 W H 0.0000
84 N H -2.2646
85 S H -1.6956
86 L H 0.0000
87 R H -2.8764
88 A H -1.9891
89 E H -2.4277
90 D H 0.0000
91 T H -0.8470
92 A H 0.0000
93 M H -0.0856
94 Y H 0.0000
95 Y H 0.1292
96 C H 0.0000
97 A H 0.0000
98 K H 0.0000
99 P H 0.0000
100 A H -0.2265
101 P H -0.5835
102 L H 0.4691
103 E H -1.3522
104 Y H -0.0708
105 G H -1.0026
106 D H -1.4265
107 T H -0.5575
108 S H 0.1747
109 S H 1.1775
110 Y H 2.7155
111 Y H 2.7687
112 Y H 3.3126
113 Y H 2.4655
114 G H 0.6454
115 M H -0.0633
116 D H -1.4031
117 V H -0.6087
118 W H -0.0960
119 G H -0.0830
120 Q H -0.8572
121 G H 0.0000
122 T H -0.1740
123 T H -0.0445
124 V H 0.0000
125 T H -0.0763
126 V H 0.0000
127 S H -0.8449
128 S H -0.5287
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Laboratory of Theory of Biopolymers 2018