Project name: a8f45233e5d3ee9

Status: done

Started: 2024-06-10 13:12:40
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Chain sequence(s) H: QVQLQESGGGLAQPGGSLRLSCAANRTIGNYYVMGWYRQTPGNQRDLVAVITSGGRTNYTDSVKGRFTISRDNAKNTVDLQMNSLKSEDTAVYYCNLKNLWGTYWGPGTQVTVSS
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)
Show buried residues

Minimal score value
-2.9366
Maximal score value
1.6849
Average score
-0.9051
Total score value
-104.0906

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 -1.7496
2 V H 0.0000
3 Q H -2.1417
4 L H 0.0000
5 Q H -1.7126
6 E H -1.1037
7 S H -1.2173
8 G H -1.3104
9 G H -0.7380
11 G H 0.0405
12 L H 0.9919
13 A H -0.3019
14 Q H -1.5433
15 P H -2.0031
16 G H -1.5744
17 G H -1.1319
18 S H -1.1721
19 L H -1.0147
20 R H -2.2657
21 L H 0.0000
22 S H -1.2200
23 C H 0.0000
24 A H -1.6505
25 A H 0.0000
26 N H -2.8680
27 R H -2.9366
28 T H -1.7540
29 I H 0.0000
30 G H -1.4604
35 N H -1.0156
36 Y H 0.1909
37 Y H 1.1075
38 V H 0.0000
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 Y H -0.0935
43 R H -1.0315
44 Q H -1.6934
45 T H -1.6333
46 P H -1.1078
47 G H -1.5716
48 N H -2.6688
49 Q H -2.7695
50 R H -2.2809
51 D H -2.3086
52 L H -0.4065
53 V H 0.0000
54 A H 0.0000
55 V H -0.2931
56 I H 0.0000
57 T H -0.7309
58 S H -0.9647
59 G H -1.2256
63 G H -1.8814
64 R H -2.4313
65 T H -1.6094
66 N H -1.8734
67 Y H -1.3160
68 T H -1.6237
69 D H -2.7148
70 S H -2.0262
71 V H 0.0000
72 K H -2.8692
74 G H -1.7842
75 R H -1.7488
76 F H 0.0000
77 T H -1.0836
78 I H 0.0000
79 S H -0.9865
80 R H -1.4571
81 D H -2.0058
82 N H -2.3579
83 A H -1.6876
84 K H -2.5652
85 N H -2.4587
86 T H -1.6978
87 V H 0.0000
88 D H -1.2976
89 L H 0.0000
90 Q H -1.3907
91 M H 0.0000
92 N H -1.4273
93 S H -1.3329
94 L H 0.0000
95 K H -2.8205
96 S H -2.1494
97 E H -2.5145
98 D H 0.0000
99 T H -0.9241
100 A H 0.0000
101 V H -0.2105
102 Y H 0.0000
103 Y H -0.2201
104 C H 0.0000
105 N H 0.0000
106 L H 0.0000
107 K H 0.3563
108 N H 0.4147
109 L H 1.6615
114 W H 1.6849
115 G H 0.3352
116 T H 0.2023
117 Y H -0.1595
118 W H 0.2072
119 G H 0.0000
120 P H -0.5435
121 G H -0.4860
122 T H -0.7395
123 Q H -0.6224
124 V H 0.0000
125 T H -0.3035
126 V H 0.0000
127 S H -0.7299
128 S H -0.5678
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Laboratory of Theory of Biopolymers 2018