Project name: 65r1

Status: done

Started: 2025-02-23 23:58:40
Settings
Chain sequence(s) A: MIAGVDQALAATGQASQRAAGASGGVTVGVGVGTEQRNLSVVAPSQFTFSSRSPDFVDETAGQSWCAILGLNQFHFAVTNDGVI
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)
Show buried residues

Minimal score value
-3.0953
Maximal score value
2.7606
Average score
-0.3875
Total score value
-32.5533

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 M A 1.9945
2 I A 2.7606
3 A A 0.9952
4 G A 0.3564
5 V A 1.1561
6 D A -1.1342
7 Q A -1.5154
8 A A -0.4624
9 L A -0.3137
10 A A -0.8645
11 A A -0.5364
12 T A -0.6436
13 G A -1.3710
14 Q A -2.2083
15 A A -1.2070
16 S A -1.6385
17 Q A -2.7947
18 R A -2.7418
19 A A -1.6898
20 A A -1.5376
21 G A -1.4817
22 A A -1.0913
23 S A -0.5880
24 G A -0.4968
25 G A -0.0183
26 V A 0.2749
27 T A 0.0288
28 V A 0.0334
29 G A -1.0992
30 V A -0.6424
31 G A -1.4935
32 V A 0.2445
33 G A -0.6724
34 T A -1.1035
35 E A -2.2945
36 Q A -2.9892
37 R A -3.0953
38 N A -2.4829
39 L A -0.6350
40 S A -0.1148
41 V A 0.0000
42 V A 1.3750
43 A A 0.3263
44 P A -0.4789
45 S A -0.5740
46 Q A -0.5964
47 F A 0.0360
48 T A -0.0035
49 F A 0.1155
50 S A -0.6313
51 S A -0.6474
52 R A -1.6249
53 S A -0.4727
54 P A -0.0193
55 D A -0.9865
56 F A -0.2626
57 V A -0.0095
58 D A -2.2233
59 E A -2.4457
60 T A -1.5431
61 A A -1.2832
62 G A -1.5326
63 Q A -1.7265
64 S A -0.8594
65 W A 0.3893
66 C A 1.2939
67 A A 1.2696
68 I A 2.4600
69 L A 2.3697
70 G A 1.3080
71 L A 1.5774
72 N A -0.4493
73 Q A -0.7248
74 F A 0.8648
75 H A -0.1113
76 F A 1.6133
77 A A 1.6282
78 V A 1.5826
79 T A 0.5416
80 N A -1.3473
81 D A -1.6847
82 G A -0.3551
83 V A 1.8088
84 I A 2.5933
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Laboratory of Theory of Biopolymers 2018