Project name: 8b585ed556e36ff

Status: done

Started: 2020-07-02 05:59:31
Settings
Chain sequence(s) A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE
P: QPPVPPQRPM
input PDB
Selected Chain(s) A,P
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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:39)
[INFO]       Movie:    Creting movie with webm format                                              (00:05:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:22)
Show buried residues

Minimal score value
-3.7015
Maximal score value
1.1543
Average score
-1.3254
Total score value
-86.1531

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
5 S A -1.6725
6 A A -1.5549
7 V A 0.0000
8 K A -2.2722
9 A A 0.0000
10 L A -1.3402
11 F A -1.7891
12 D A -2.7352
13 Y A 0.0000
14 K A -2.6448
15 A A -2.3932
16 Q A -2.9996
17 R A -3.7015
18 E A -3.1614
19 D A -2.3658
20 E A 0.0000
21 L A 0.0000
22 T A -1.2503
23 F A 0.0000
24 T A -1.8523
25 K A -2.3152
26 S A -1.4095
27 A A 0.0000
28 I A 0.1046
29 I A 0.0000
30 Q A -1.8652
31 N A -2.7095
32 V A -2.4626
33 E A -3.2900
34 K A -3.4434
35 Q A -2.7549
36 D A -2.6090
37 G A -1.9002
38 G A -1.5036
39 W A 0.0000
40 W A -1.7723
41 R A -2.0873
42 G A 0.0000
43 D A -1.8965
44 Y A -0.8289
45 G A -0.8717
46 G A -1.3710
47 K A -1.8813
48 K A -2.6702
49 Q A -1.9997
50 L A -1.1795
51 W A -0.9823
52 F A 0.0000
53 P A 0.0000
54 S A -1.2768
55 N A -0.7477
56 Y A 0.0000
57 V A 0.0000
58 E A -3.0591
59 E A -2.9482
1 Q P -1.0763
2 P P -0.6599
3 P P 0.2641
4 V P 1.1543
5 P P 0.1105
6 P P -0.6147
7 Q P -1.1847
8 R P -1.1631
9 P P -0.2338
10 M P 0.7145
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Laboratory of Theory of Biopolymers 2018