Project name: fe2d45de7503bed

Status: done

Started: 2026-04-10 12:16:18
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Chain sequence(s) H: QVQLVESGGGLVQPGGSLRLSCAASGLGPYPFSSYGVAWFRQAPGQGLEAVAAIGGDGSVTYYHPSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGGGSPEEGRYTHWGQGTLVTVS
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)
Show buried residues

Minimal score value
-3.7614
Maximal score value
1.7628
Average score
-0.6083
Total score value
-74.8255

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 -1.6771
2 V H 0.0000
3 Q H -1.2738
4 L H 0.0000
5 V H 1.1067
6 E H 0.4860
7 S H -0.2488
8 G H -0.8424
9 G H 0.1243
10 G H 0.7020
11 L H 1.4101
12 V H -0.1312
13 Q H -1.4636
14 P H -1.8933
15 G H -1.5987
16 G H -1.0232
17 S H -1.1577
18 L H -0.8991
19 R H -2.1229
20 L H 0.0000
21 S H -0.3944
22 C H 0.0000
23 A H -0.1005
24 A H -0.5113
25 S H -0.8601
26 G H -1.1398
27 L H -0.5435
28 G H -0.4104
29 P H 0.1288
30 Y H 0.9398
31 P H 0.0629
32 F H 0.0000
33 S H -0.9778
34 S H -0.5211
35 Y H 0.0000
36 G H -0.4263
37 V H 0.0000
38 A H 0.0000
39 W H 0.0000
40 F H 0.4330
41 R H 0.0000
42 Q H -0.4787
43 A H -0.8661
44 P H -0.9885
45 G H -1.2611
46 Q H -1.7029
47 G H -0.9200
48 L H 0.2746
49 E H -0.2347
50 A H 0.1450
51 V H 0.0000
52 A H 0.0000
53 A H 0.5347
54 I H 0.0000
55 G H -0.1937
56 G H -1.0866
57 D H -1.8993
58 G H -0.8807
59 S H -0.0420
60 V H 1.4071
61 T H 1.1447
62 Y H 0.9969
63 Y H -0.2632
64 H H -0.6963
65 P H -0.9864
66 S H -1.1106
67 V H 0.0000
68 K H -2.0436
69 G H -1.5827
70 R H -1.3897
71 F H 0.0000
72 T H -0.7922
73 I H 0.0000
74 S H -0.4292
75 R H -1.1775
76 D H -1.6154
77 N H -1.9197
78 S H -1.5610
79 K H -2.3005
80 N H -1.6294
81 T H -0.8928
82 L H 0.0000
83 Y H -0.5592
84 L H 0.0000
85 Q H -1.3918
86 M H 0.0000
87 N H -1.4743
88 S H -1.4131
89 L H 0.0000
90 R H -2.9714
91 A H -2.0733
92 E H -2.4833
93 D H 0.0000
94 T H -0.5070
95 A H 0.0000
96 V H 0.9854
97 Y H 0.0000
98 Y H 0.5987
99 C H 0.0000
100 A H 0.0000
101 A H 0.0000
102 G H 0.0000
103 G H -1.4983
104 G H -2.0671
105 S H -2.2126
106 P H -2.4405
107 E H -3.3557
108 E H -3.7614
109 G H -3.1152
110 R H -2.9730
111 Y H -0.9850
112 T H -0.6823
113 H H -0.6104
114 W H 0.2829
115 G H -0.1051
116 Q H -0.7976
117 G H 0.1774
118 T H 0.6541
119 L H 1.7628
120 V H 0.0000
121 T H 0.2981
122 V H 0.0000
123 S H -0.8424
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Laboratory of Theory of Biopolymers 2018