Project name: 334046ff631df8a

Status: done

Started: 2025-02-03 18:55:10
Settings
Chain sequence(s) A: EVQLVESGGGSVQPGESLRLSCAVSESIFSRDAVAWHRQAPGKGLELVAVVTIADNAYYADSVKGRFTISRDKAGNTVYLHMNALRAEDTAVYYCNAWSSIGSADYWGQGTQVTVSS
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)
Show buried residues

Minimal score value
-3.0511
Maximal score value
1.7957
Average score
-0.6659
Total score value
-77.9084

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 E A -1.6442
2 V A -0.4569
3 Q A -0.8600
4 L A 0.0000
5 V A 1.1109
6 E A -0.0339
7 S A -0.5094
8 G A -1.1655
9 G A -1.1863
10 G A -0.9217
11 S A -0.8049
12 V A -1.0142
13 Q A -1.6499
14 P A -2.1540
15 G A -1.9840
16 E A -2.2924
17 S A -1.9169
18 L A -1.3642
19 R A -1.9411
20 L A 0.0000
21 S A -0.4008
22 C A 0.0000
23 A A -0.0587
24 V A 0.0000
25 S A -1.1932
26 E A -2.3263
27 S A -1.4142
28 I A 0.0000
29 F A 0.0000
30 S A -0.9249
31 R A -0.3378
32 D A 0.0000
33 A A 0.0000
34 V A 0.0000
35 A A 0.0000
36 W A 0.0000
37 H A 0.2333
38 R A -0.4403
39 Q A -0.8589
40 A A -1.3488
41 P A -1.1762
42 G A -1.4544
43 K A -2.1484
44 G A -1.0200
45 L A 0.3457
46 E A -0.1911
47 L A 0.3792
48 V A 0.0000
49 A A 0.0000
50 V A 0.4564
51 V A 0.0000
52 T A -0.0444
53 I A 0.3751
54 A A -0.3829
55 D A -1.6853
56 N A -1.2141
57 A A -0.0307
58 Y A 0.7611
59 Y A 0.0044
60 A A -0.9333
61 D A -2.2581
62 S A -1.7476
63 V A 0.0000
64 K A -2.4477
65 G A -1.8057
66 R A -1.4354
67 F A 0.0000
68 T A -0.6286
69 I A 0.0000
70 S A -0.9584
71 R A -1.2598
72 D A -1.7454
73 K A -2.2254
74 A A -1.1802
75 G A -1.3515
76 N A -1.6626
77 T A -0.8320
78 V A 0.0000
79 Y A -0.4760
80 L A 0.0000
81 H A -1.1940
82 M A 0.0000
83 N A -2.0637
84 A A -1.7392
85 L A 0.0000
86 R A -3.0511
87 A A -2.0099
88 E A -2.5001
89 D A 0.0000
90 T A -1.2820
91 A A 0.0000
92 V A -0.4858
93 Y A 0.0000
94 Y A 0.0737
95 C A 0.0000
96 N A 0.0000
97 A A 0.0000
98 W A 0.1544
99 S A 0.4333
100 S A 0.7177
101 I A 1.7957
102 G A 0.4243
103 S A -0.1826
104 A A -0.4975
105 D A -1.3964
106 Y A -0.2219
107 W A 0.2585
108 G A 0.0918
109 Q A -0.8464
110 G A -0.6029
111 T A 0.0000
112 Q A -1.3885
113 V A 0.0000
114 T A -1.0171
115 V A 0.0000
116 S A -1.0062
117 S A -0.5400
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Laboratory of Theory of Biopolymers 2018