Project name: 1899fcd2ba253a2

Status: done

Started: 2026-04-10 12:25:34
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Chain sequence(s) H: QVQLVESGGGLVQPGGSLRLSCAASGLGPYPFSSYGWAWFRQAPGQGLEAVAAIGGDGSTTYYHPSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGGGPPEDGVYDYWGQGTLVTVS
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)
Show buried residues

Minimal score value
-2.4906
Maximal score value
1.6755
Average score
-0.5536
Total score value
-68.0914

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 -1.5908
2 V H -1.3422
3 Q H -1.1181
4 L H 0.0000
5 V H 1.2060
6 E H 0.0000
7 S H 0.0529
8 G H -0.4265
9 G H 0.2392
10 G H 0.8597
11 L H 1.3848
12 V H -0.0202
13 Q H -1.3019
14 P H -1.6561
15 G H -1.4963
16 G H -1.0378
17 S H -1.3209
18 L H -0.7168
19 R H -1.5423
20 L H 0.0000
21 S H -0.1967
22 C H 0.0000
23 A H -0.0857
24 A H 0.0000
25 S H -1.0509
26 G H -1.1885
27 L H 0.0000
28 G H -0.4375
29 P H -0.0359
30 Y H 0.7999
31 P H -0.0449
32 F H 0.0000
33 S H -0.9811
34 S H -0.3764
35 Y H -0.5161
36 G H 0.0000
37 W H 0.0000
38 A H 0.0000
39 W H 0.0000
40 F H 0.2149
41 R H -0.1605
42 Q H -0.6581
43 A H -1.0192
44 P H -1.2042
45 G H -1.3666
46 Q H -1.7757
47 G H -1.0559
48 L H 0.0568
49 E H -0.7388
50 A H -0.0555
51 V H 0.0000
52 A H 0.0000
53 A H -0.0346
54 I H 0.0000
55 G H 0.0000
56 G H -1.3620
57 D H -2.1725
58 G H -1.4288
59 S H -0.9180
60 T H -0.4406
61 T H 0.2253
62 Y H 0.2191
63 Y H -0.0772
64 H H -0.6797
65 P H -0.9419
66 S H -1.0438
67 V H 0.0000
68 K H -1.9836
69 G H -1.6156
70 R H -1.5264
71 F H 0.0000
72 T H -0.7913
73 I H 0.0000
74 S H -0.4456
75 R H -1.2328
76 D H -1.6088
77 N H -2.2124
78 S H -1.7511
79 K H -2.4463
80 N H -1.8503
81 T H -0.9960
82 L H 0.0000
83 Y H -0.4212
84 L H 0.0000
85 Q H -1.1926
86 M H 0.0000
87 N H -1.9833
88 S H -1.4640
89 L H 0.0000
90 R H -2.1947
91 A H -1.6624
92 E H -2.2044
93 D H 0.0000
94 T H -0.4193
95 A H 0.0000
96 V H 0.7893
97 Y H 0.0000
98 Y H 0.4647
99 C H 0.0000
100 A H 0.0000
101 A H 0.0000
102 G H 0.0000
103 G H -0.6457
104 G H -0.8089
105 P H -1.4392
106 P H -1.2571
107 E H -2.4906
108 D H -2.4514
109 G H -0.9943
110 V H 0.5822
111 Y H 0.0989
112 D H -0.9374
113 Y H -0.2954
114 W H 0.2554
115 G H 0.1106
116 Q H -0.7688
117 G H 0.1449
118 T H 0.6280
119 L H 1.6755
120 V H 0.0000
121 T H 0.3642
122 V H 0.0000
123 S H -0.7556
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Laboratory of Theory of Biopolymers 2018