Project name: 65r2

Status: done

Started: 2025-02-23 23:58:59
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)
Show buried residues

Minimal score value
-3.1041
Maximal score value
2.7367
Average score
-0.629
Total score value
-52.8349

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 1.5818
2 I A 2.0588
3 A A 0.3917
4 G A -0.3115
5 V A -0.1174
6 D A -1.6634
7 Q A -1.7248
8 A A -1.3226
9 L A -1.0000
10 A A -1.0061
11 A A -0.6480
12 T A -0.5608
13 G A -0.7981
14 Q A -1.5113
15 A A -1.2262
16 S A -1.5210
17 Q A -1.8793
18 R A -1.4854
19 A A -1.0166
20 A A -0.6471
21 G A -0.6807
22 A A -0.5525
23 S A -0.5199
24 G A -0.2434
25 G A 0.3058
26 V A 0.2511
27 T A -0.4880
28 V A -0.5380
29 G A -1.8102
30 V A -1.2483
31 G A -1.7412
32 V A -1.7206
33 G A -1.6587
34 T A -1.4163
35 E A -2.8442
36 Q A -3.1041
37 R A -2.7770
38 N A -1.9588
39 L A -0.3855
40 S A 0.1352
41 V A 0.8563
42 V A 1.6378
43 A A 0.4613
44 P A 0.0241
45 S A -0.5166
46 Q A -0.8696
47 F A -0.0319
48 T A 0.3601
49 F A 0.6015
50 S A -0.4208
51 S A -1.2259
52 R A -2.0471
53 S A -1.1601
54 P A -0.9371
55 D A -1.2745
56 F A 0.1901
57 V A 0.2008
58 D A -1.8778
59 E A -2.2064
60 T A -1.5696
61 A A -1.7348
62 G A -1.9971
63 Q A -1.4362
64 S A -0.7735
65 W A 0.1068
66 C A 0.1664
67 A A 0.0000
68 I A 0.1540
69 L A -0.0841
70 G A -0.2805
71 L A 0.7324
72 N A -0.7191
73 Q A -0.8553
74 F A 0.2611
75 H A -0.0867
76 F A 0.6406
77 A A 0.4645
78 V A 0.0000
79 T A -0.6393
80 N A -2.1799
81 D A -1.7354
82 G A -0.4067
83 V A 2.0392
84 I A 2.7367
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Laboratory of Theory of Biopolymers 2018