Project name: Sirius_7

Status: done

Started: 2025-02-24 07:40:43
Settings
Chain sequence(s) A: VKIVSRKSLGVQNVYDIGVEKDHNFLLANGLIASNEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)
Show buried residues

Minimal score value
-3.966
Maximal score value
2.7015
Average score
-0.1621
Total score value
-10.3769

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 V A 1.6053
2 K A 0.5385
3 I A 1.9288
4 V A 1.9647
5 S A -0.2646
6 R A -1.9759
7 K A -2.4147
8 S A -0.6397
9 L A 0.7409
10 G A 0.4297
11 V A 1.2108
12 Q A -0.1716
13 N A -0.3587
14 V A 1.3892
15 Y A 1.0926
16 D A -0.3532
17 I A 0.3144
18 G A -1.2776
19 V A -2.1485
20 E A -3.0434
21 K A -3.7726
22 D A -3.9660
23 H A -3.8407
24 N A -1.9915
25 F A 0.5481
26 L A 2.5404
27 L A 1.6930
28 A A 0.4378
29 N A -0.3366
30 G A 0.7409
31 L A 2.4838
32 I A 2.7015
33 A A 1.1114
34 S A -0.8874
35 N A -2.2670
36 E A -2.5252
37 G A -1.5581
38 T A -0.6321
39 F A 0.7800
40 T A -0.2079
41 S A -0.3381
42 D A -0.6678
43 V A 0.7870
44 S A 0.1224
45 S A -0.1901
46 Y A 0.8963
47 L A 0.6973
48 E A -1.4893
49 G A -0.7724
50 Q A -0.9549
51 A A -0.6692
52 A A -0.4272
53 K A -1.3887
54 E A -0.8663
55 F A 1.9472
56 I A 2.4512
57 A A 1.2422
58 W A 1.2364
59 L A 1.7678
60 V A 1.7778
61 R A -0.5723
62 G A -1.0648
63 R A -2.1231
64 G A -1.3971
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Laboratory of Theory of Biopolymers 2018