Project name: 6d40896c5ab82af

Status: done

Started: 2026-04-25 17:32:56
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Chain sequence(s) H: QVQLQDSGGGLVQAGGSLRLSCEASGSIFSISAMGWYRQAPGKQRELVAVITTDGSTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTDVYYCGASPRALKWYWGQGTQVTVSS
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)
Show buried residues

Minimal score value
-3.0028
Maximal score value
2.0318
Average score
-0.9009
Total score value
-104.5039

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 -1.6183
2 V H -1.0912
3 Q H -1.8807
4 L H -1.7808
5 Q H -2.3594
6 D H -1.7524
7 S H -1.5019
9 G H -1.3072
10 G H -0.8913
11 G H 0.1265
12 L H 1.0909
13 V H 0.0998
14 Q H -1.2271
15 A H -1.3992
16 G H -1.4056
17 G H -0.9857
18 S H -1.3906
19 L H -1.1335
20 R H -2.3696
21 L H 0.0000
22 S H -1.3414
23 C H 0.0000
24 E H -2.5438
25 A H -1.6798
26 S H -1.3929
27 G H -0.7684
29 S H -0.1365
30 I H 0.8626
31 F H 2.0318
32 S H 0.7368
33 I H 0.2139
39 S H -0.4380
40 A H 0.0000
41 M H 0.0000
42 G H 0.0000
43 W H 0.0000
44 Y H -0.1289
45 R H 0.0000
46 Q H -1.8011
47 A H -1.6469
48 P H -1.2166
49 G H -1.7259
50 K H -3.0028
51 Q H -2.7926
52 R H -2.0195
53 E H -1.7297
54 L H -0.1942
55 V H 0.0000
56 A H 0.0000
57 V H -0.2874
58 I H 0.0000
59 T H -1.2368
60 T H -1.2505
65 D H -2.0685
66 G H -1.5281
67 S H -1.1289
68 T H -0.9564
69 N H -1.4769
70 Y H -1.1515
71 A H -1.4294
72 D H -2.5566
73 S H -1.8012
74 V H 0.0000
75 K H -2.7581
76 G H -1.8727
77 R H -1.7435
78 F H 0.0000
79 T H -1.2179
80 I H 0.0000
81 S H -0.7153
82 R H -1.4323
83 D H -2.1019
84 N H -2.2965
85 A H -1.5916
86 K H -2.3775
87 N H -2.0848
88 T H 0.0000
89 V H 0.0000
90 Y H -0.8602
91 L H 0.0000
92 Q H -1.8170
93 M H 0.0000
94 N H -2.1770
95 S H -1.4603
96 L H 0.0000
97 K H -2.1437
98 P H -1.7911
99 E H -2.2431
100 D H 0.0000
101 T H -0.8655
102 D H 0.0000
103 V H -0.5326
104 Y H 0.0000
105 Y H -0.3219
106 C H 0.0000
107 G H 0.0000
108 A H 0.0000
109 S H 0.0000
110 P H -0.6082
111 R H -1.5666
112 A H -0.5396
135 L H 0.3993
136 K H -0.7738
137 W H 0.2244
138 Y H 0.3458
139 W H 0.1107
140 G H -0.9628
141 Q H -1.3675
142 G H -1.0881
143 T H -1.0661
144 Q H -1.1030
145 V H 0.0000
146 T H -0.2874
147 V H 0.0000
148 S H -0.6178
149 S H -0.8353
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Laboratory of Theory of Biopolymers 2018