Project name: 5093e5cf2f1a5fb

Status: done

Started: 2026-01-09 07:57:30
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Chain sequence(s) H: QVQLVESGGGLVQPGGSLRLSCAASGFTFRTSLGWFRQAPGQGLEAVAAIASMGGLTFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAVRDYDSTDYASHNFRYWGQGTLVTVS
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)
Show buried residues

Minimal score value
-3.1373
Maximal score value
1.783
Average score
-0.6692
Total score value
-82.3122

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 -1.4804
2 V H -1.0435
3 Q H -1.0649
4 L H 0.0000
5 V H 0.6218
6 E H 0.0000
7 S H -0.1910
8 G H -0.5592
9 G H 0.2720
10 G H 0.7097
11 L H 1.3387
12 V H 0.0000
13 Q H -1.5336
14 P H -2.0187
15 G H -1.7808
16 G H -1.2668
17 S H -1.4911
18 L H -0.7489
19 R H -1.5558
20 L H 0.0000
21 S H -0.3228
22 C H 0.0000
23 A H -0.2178
24 A H -0.4960
25 S H -0.9456
26 G H -0.8847
27 F H -0.8385
28 T H -0.2522
29 F H -0.5320
30 R H -1.9888
31 T H 0.0000
32 S H 0.0000
33 L H 0.0000
34 G H 0.0000
35 W H 0.0000
36 F H 0.0000
37 R H 0.0000
38 Q H -0.6916
39 A H -0.9659
40 P H -0.9015
41 G H -1.2813
42 Q H -1.8422
43 G H -1.2376
44 L H -0.4435
45 E H -1.0028
46 A H -0.3880
47 V H 0.0000
48 A H 0.0000
49 A H 0.0000
50 I H 0.0000
51 A H 0.0000
52 S H -0.4398
53 M H 0.3718
54 G H 0.1948
55 G H 0.3458
56 L H 1.1074
57 T H 0.8367
58 F H 0.5379
59 Y H -0.4414
60 A H -1.2055
61 D H -2.3518
62 S H -1.8305
63 V H 0.0000
64 K H -2.5168
65 G H -1.9027
66 R H -1.8787
67 F H 0.0000
68 T H -0.8256
69 I H 0.0000
70 S H -0.5250
71 R H -1.0081
72 D H -1.8179
73 N H -2.4092
74 S H -1.9344
75 K H -2.5675
76 N H -1.9998
77 T H -1.1140
78 L H 0.0000
79 Y H -0.4048
80 L H 0.0000
81 Q H -1.2246
82 M H 0.0000
83 N H -2.1878
84 S H -1.7936
85 L H 0.0000
86 R H -3.1373
87 A H -2.1108
88 E H -2.5069
89 D H 0.0000
90 T H -0.5314
91 A H 0.0000
92 V H 0.9408
93 Y H 0.0000
94 Y H 0.3512
95 C H 0.0000
96 A H 0.0000
97 A H 0.0000
98 V H 0.0000
99 R H -2.0720
100 D H -1.9325
101 Y H -0.6770
102 D H -1.5808
103 S H -1.2048
104 T H -1.0585
105 D H -2.0428
106 Y H -1.0071
107 A H -0.9338
108 S H -1.0686
109 H H -1.6899
110 N H -1.8261
111 F H 0.0000
112 R H -2.1013
113 Y H -0.7361
114 W H -0.0946
115 G H -0.1223
116 Q H -0.8857
117 G H 0.0000
118 T H 0.6510
119 L H 1.7830
120 V H 0.0000
121 T H 0.2433
122 V H 0.0000
123 S H -0.9508
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Laboratory of Theory of Biopolymers 2018