Project name: 182

Status: done

Started: 2025-06-25 13:23:02
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Chain sequence(s) H: QVQLQESGGGSVQAGGSLRLSCAASGSTYSSNCMGWFRQAPGKEREEVASMSIRSGRTYYSDSVKGRFTISHDGSKNTLYLQMNGLKAEDTAMYYCAAAYGGSRCDYNYRGQGTPVTVSS
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-3.2701
Maximal score value
1.1889
Average score
-0.9483
Total score value
-113.8001

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 -1.6217
2 V H 0.0000
3 Q H -2.2924
4 L H 0.0000
5 Q H -2.0611
6 E H 0.0000
7 S H -1.0989
8 G H -1.0268
9 G H -0.8517
11 G H -0.6514
12 S H -0.5207
13 V H -0.6827
14 Q H -1.5272
15 A H -1.5028
16 G H -1.2868
17 G H -1.0339
18 S H -1.0842
19 L H -0.9296
20 R H -1.7730
21 L H 0.0000
22 S H -0.7655
23 C H 0.0000
24 A H -1.0592
25 A H -1.1059
26 S H -1.3742
27 G H -1.0252
28 S H -0.4942
29 T H 0.0266
30 Y H 1.1889
35 S H 0.3771
36 S H 0.0000
37 N H -0.5161
38 C H 0.0000
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H -0.5131
43 R H 0.0000
44 Q H -1.6192
45 A H -1.6372
46 P H -1.3014
47 G H -1.8522
48 K H -3.0319
49 E H -3.2701
50 R H -2.3433
51 E H -1.7024
52 E H -0.8570
53 V H 0.0000
54 A H 0.0000
55 S H 0.0000
56 M H 0.0000
57 S H -1.2217
58 I H -1.1483
59 R H -2.2466
62 S H -1.7786
63 G H -1.7955
64 R H -2.1489
65 T H -0.5365
66 Y H 0.0989
67 Y H -0.3541
68 S H -1.1867
69 D H -2.3602
70 S H -1.7743
71 V H 0.0000
72 K H -2.2384
74 G H -1.6445
75 R H -1.6276
76 F H 0.0000
77 T H -0.6457
78 I H 0.0000
79 S H -0.5156
80 H H -0.8629
81 D H -1.4468
82 G H -1.7338
83 S H -1.5563
84 K H -2.3681
85 N H -1.6729
86 T H -1.2378
87 L H 0.0000
88 Y H -0.3959
89 L H 0.0000
90 Q H -1.0377
91 M H 0.0000
92 N H -1.3757
93 G H -1.2829
94 L H 0.0000
95 K H -2.0133
96 A H -1.5270
97 E H -2.1491
98 D H 0.0000
99 T H -0.8028
100 A H 0.0000
101 M H -0.0901
102 Y H 0.0000
103 Y H -0.8053
104 C H 0.0000
105 A H 0.0000
106 A H 0.0000
107 A H 0.0000
108 Y H -0.4316
109 G H -1.3402
110 G H -1.3178
111 S H -1.5787
112 R H -2.4813
113 C H -1.8790
114 D H -2.6116
115 Y H -1.7657
116 N H -1.7565
117 Y H -1.6003
118 R H -2.6191
119 G H 0.0000
120 Q H -2.0706
121 G H -1.0696
122 T H 0.0000
123 P H -0.4904
124 V H 0.0000
125 T H -0.6805
126 V H 0.0000
127 S H -1.0275
128 S H -0.7766
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Laboratory of Theory of Biopolymers 2018