Project name: eccb780f2639444

Status: done

Started: 2021-02-28 07:33:19
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]                                                (00:01:37)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:01:37)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:01:37)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:37)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:37)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:44)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:04:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:47)
Show buried residues

Minimal score value
-3.6401
Maximal score value
1.1699
Average score
-1.3027
Total score value
-84.6775

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 -1.6279
6 A A -1.5233
7 V A 0.0000
8 K A -2.2094
9 A A 0.0000
10 L A -1.3687
11 F A -1.8040
12 D A -2.7488
13 Y A 0.0000
14 K A -2.6149
15 A A -2.3405
16 Q A -2.8886
17 R A -3.6401
18 E A -3.1294
19 D A -2.3220
20 E A 0.0000
21 L A 0.0000
22 T A -1.2318
23 F A 0.0000
24 T A -1.8619
25 K A -2.3377
26 S A -1.4300
27 A A 0.0000
28 I A -0.0069
29 I A 0.0000
30 Q A -1.7964
31 N A -2.6345
32 V A -2.3723
33 E A -3.1362
34 K A -3.3580
35 Q A -2.6883
36 D A -2.5899
37 G A -1.8800
38 G A -1.4605
39 W A 0.0000
40 W A -1.7193
41 R A -2.0171
42 G A 0.0000
43 D A -1.8634
44 Y A -0.8429
45 G A -0.8809
46 G A -1.3496
47 K A -1.8345
48 K A -2.6339
49 Q A -1.9477
50 L A -1.1715
51 W A -0.9721
52 F A 0.0000
53 P A 0.0000
54 S A -1.2308
55 N A -0.6838
56 Y A 0.0000
57 V A 0.0000
58 E A -3.0358
59 E A -2.9297
1 Q P -1.0766
2 P P -0.6617
3 P P 0.2761
4 V P 1.1699
5 P P 0.1379
6 P P -0.5856
7 Q P -1.1703
8 R P -1.1439
9 P P -0.2260
10 M P 0.7177
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Laboratory of Theory of Biopolymers 2018