Project name: 5813aef87f2cb38

Status: done

Started: 2026-04-10 08:27:51
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Chain sequence(s) H: QVQLVESGGGLVQPGGSLRLSCAASGASRPLSSYSWAWFRQAPGQGLEAVAAIGGDGTTKIYHPAVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGGGGPSEGKDYWGQGTLVTVS
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)
Show buried residues

Minimal score value
-3.0405
Maximal score value
1.7181
Average score
-0.6694
Total score value
-80.9975

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 -1.8259
2 V H 0.0000
3 Q H -1.2884
4 L H 0.0000
5 V H 0.8981
6 E H 0.0000
7 S H -0.1980
8 G H -0.6828
9 G H 0.2320
10 G H 0.8900
11 L H 1.4539
12 V H -0.0754
13 Q H -1.4014
14 P H -1.9070
15 G H -1.7281
16 G H -1.2247
17 S H -1.4928
18 L H -0.8351
19 R H -1.7440
20 L H 0.0000
21 S H -0.3446
22 C H 0.0000
23 A H -0.2504
24 A H 0.0000
25 S H -0.9547
26 G H -1.2920
27 A H -1.2032
28 S H -0.9968
29 R H -1.1669
30 P H -1.0718
31 L H 0.0000
32 S H -1.4810
33 S H -1.1038
34 Y H 0.0000
35 S H -0.8913
36 W H 0.0000
37 A H 0.3570
38 W H 0.0000
39 F H 0.4487
40 R H 0.0000
41 Q H -0.4333
42 A H -0.8686
43 P H -0.8816
44 G H -1.2535
45 Q H -1.7281
46 G H -0.9793
47 L H 0.0501
48 E H -0.4777
49 A H 0.2108
50 V H 0.0000
51 A H 0.0000
52 A H 0.4499
53 I H 0.0000
54 G H -0.8776
55 G H -1.4707
56 D H -2.1486
57 G H -1.5280
58 T H -0.7409
59 T H -0.4507
60 K H 0.0155
61 I H 1.3955
62 Y H 0.2147
63 H H -0.3940
64 P H -0.7408
65 A H -0.9423
66 V H 0.0000
67 K H -1.8305
68 G H -1.6935
69 R H -1.6737
70 F H 0.0000
71 T H -0.8222
72 I H 0.0000
73 S H -0.6543
74 R H -1.2550
75 D H -2.0106
76 N H -2.3893
77 S H -1.9510
78 K H -2.5848
79 N H -1.9630
80 T H 0.0000
81 L H 0.0000
82 Y H 0.0000
83 L H 0.0000
84 Q H -1.3565
85 M H 0.0000
86 N H -2.1794
87 S H -1.7532
88 L H 0.0000
89 R H -3.0405
90 A H -2.0547
91 E H -2.4560
92 D H 0.0000
93 T H -0.5134
94 A H 0.0000
95 V H 0.8974
96 Y H 0.0000
97 Y H 0.5649
98 C H 0.0000
99 A H 0.0000
100 A H 0.0000
101 G H -1.4098
102 G H -1.6333
103 G H -1.2353
104 G H -0.8692
105 P H -0.9955
106 S H -1.0306
107 E H -1.7533
108 G H -2.0342
109 K H -2.9041
110 D H -2.1904
111 Y H -1.0247
112 W H 0.2096
113 G H -0.0247
114 Q H -0.8336
115 G H 0.1523
116 T H 0.6093
117 L H 1.7181
118 V H 0.0000
119 T H 0.3023
120 V H 0.0000
121 S H -0.8715
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Laboratory of Theory of Biopolymers 2018