Project name: 65r0

Status: done

Started: 2025-02-23 23:58:20
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]                                                (00:00:01)
[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 A 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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)
Show buried residues

Minimal score value
-3.3738
Maximal score value
2.515
Average score
-0.6257
Total score value
-52.5571

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 1.9367
2 I A 2.5150
3 A A 1.0982
4 G A 0.1171
5 V A 0.4512
6 D A -1.1651
7 Q A -1.3544
8 A A 0.0000
9 L A -0.0528
10 A A -0.5696
11 A A 0.0000
12 T A 0.0000
13 G A 0.0000
14 Q A -1.2389
15 A A 0.0000
16 S A 0.0000
17 Q A -2.2768
18 R A -2.4427
19 A A 0.0000
20 A A -1.3608
21 G A -1.2085
22 A A -0.9779
23 S A -0.6615
24 G A -1.3155
25 G A -0.4401
26 V A 0.0000
27 T A 0.1594
28 V A 0.0000
29 G A -1.4599
30 V A 0.0000
31 G A 0.0000
32 V A -1.0154
33 G A -1.2038
34 T A -1.5280
35 E A -3.0189
36 Q A -3.3213
37 R A -3.3738
38 N A -2.2264
39 L A -0.3605
40 S A 0.8040
41 V A 0.9574
42 V A 1.8168
43 A A 0.3515
44 P A -0.6179
45 S A -0.6476
46 Q A -0.8846
47 F A -0.2393
48 T A 0.1693
49 F A 0.1657
50 S A -0.6793
51 S A -1.0371
52 R A -2.2777
53 S A -1.6086
54 P A 0.0000
55 D A -1.4499
56 F A -0.6356
57 V A -0.8224
58 D A -2.5442
59 E A -2.8194
60 T A -1.8364
61 A A -1.3135
62 G A -1.7945
63 Q A -2.1058
64 S A -1.7480
65 W A 0.0000
66 C A 0.0000
67 A A 0.0000
68 I A -0.1429
69 L A 0.0000
70 G A 0.0192
71 L A 0.7720
72 N A -0.5857
73 Q A -1.0019
74 F A 0.0000
75 H A -1.0614
76 F A 0.0000
77 A A -0.9300
78 V A -0.9306
79 T A -1.0396
80 N A -2.2917
81 D A -1.8595
82 G A -0.5478
83 V A 1.6695
84 I A 2.4654
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Laboratory of Theory of Biopolymers 2018