Project name: 3d027e1d0803b20

Status: done

Started: 2025-01-21 14:59:17
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Chain sequence(s) H: QVQLQASGGGLVQAGGSLRLSCAASGRTFSSYAMGWFRQAPGKQREFVAAISWSGDRTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYHCAANDLMVPELLMPRVESYDYWGQGTQVTVSS
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                                          (00:01:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)
Show buried residues

Minimal score value
-2.9163
Maximal score value
1.4596
Average score
-0.7739
Total score value
-98.2837

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 -2.0627
2 V H 0.0000
3 Q H -1.9536
4 L H 0.0000
5 Q H -1.8045
6 A H 0.0000
7 S H -1.1564
8 G H -1.0954
9 G H -0.6211
11 G H 0.0484
12 L H 1.1537
13 V H 0.0396
14 Q H -1.2832
15 A H -1.5071
16 G H -1.3652
17 G H -0.9357
18 S H -1.2205
19 L H -0.8364
20 R H -2.0971
21 L H 0.0000
22 S H -0.8372
23 C H 0.0000
24 A H -1.1603
25 A H 0.0000
26 S H -1.5885
27 G H -1.9967
28 R H -2.3445
29 T H -1.1803
30 F H 0.0000
35 S H -0.8569
36 S H -0.5490
37 Y H 0.0318
38 A H -0.0296
39 M H 0.0000
40 G H 0.0000
41 W H 0.0000
42 F H 0.0000
43 R H 0.0000
44 Q H -1.5690
45 A H -1.5704
46 P H -1.1692
47 G H -1.7915
48 K H -2.9163
49 Q H -2.6541
50 R H -1.7107
51 E H -1.1192
52 F H -0.4269
53 V H 0.0000
54 A H 0.0000
55 A H 0.0000
56 I H 0.0000
57 S H 0.0000
58 W H -0.2282
59 S H -0.8711
62 G H -1.4155
63 D H -2.2756
64 R H -1.4385
65 T H -0.5281
66 Y H 0.1428
67 Y H -0.7591
68 A H -1.2446
69 D H -2.5272
70 S H -1.8014
71 V H 0.0000
72 K H -2.6744
74 G H -1.8144
75 R H -1.6069
76 F H 0.0000
77 T H -0.8603
78 I H 0.0000
79 S H -0.6037
80 R H -0.9738
81 D H -1.2846
82 N H -1.4213
83 A H -1.2469
84 K H -2.1642
85 N H -1.8539
86 T H 0.0000
87 V H 0.0000
88 Y H -0.5266
89 L H 0.0000
90 Q H -1.2699
91 M H 0.0000
92 N H -1.4191
93 S H -1.2444
94 L H 0.0000
95 K H -2.5060
96 P H -1.9519
97 E H -2.3949
98 D H 0.0000
99 T H -0.8147
100 A H 0.0000
101 V H -0.2131
102 Y H 0.0000
103 H H -0.6032
104 C H 0.0000
105 A H 0.0000
106 A H 0.0000
107 N H -1.1330
108 D H -1.7791
109 L H -0.1857
110 M H 0.8664
111 V H 0.7164
111A P H 0.0069
111B E H -0.2315
111C L H 1.3960
112D L H 1.4596
112C M H 0.9974
112B P H 0.0105
112A R H -1.4207
112 V H -0.7705
113 E H -2.2241
114 S H -1.5117
115 Y H 0.0000
116 D H -2.3169
117 Y H -1.2249
118 W H -0.6275
119 G H 0.0000
120 Q H -1.5635
121 G H -0.9451
122 T H -0.8442
123 Q H -0.5443
124 V H 0.0000
125 T H -0.1625
126 V H 0.0000
127 S H -0.8046
128 S H -0.9167
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Laboratory of Theory of Biopolymers 2018