Project name: 3b95d5d4249f8b9

Status: done

Started: 2021-02-27 13:11:59
Settings
Chain sequence(s) A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE
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]                                                (00:01:28)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:01:28)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:01:28)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:29)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:29)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:18)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:04:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:20)
Show buried residues

Minimal score value
-3.8159
Maximal score value
0.0
Average score
-1.5351
Total score value
-84.4303

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 -1.6332
6 A A -1.5245
7 V A 0.0000
8 K A -2.0269
9 A A 0.0000
10 L A -0.8744
11 F A -0.7141
12 D A -2.2415
13 Y A 0.0000
14 K A -2.5893
15 A A -2.5188
16 Q A -3.1069
17 R A -3.8159
18 E A -3.3807
19 D A -2.7718
20 E A -2.2852
21 L A 0.0000
22 T A -1.2811
23 F A 0.0000
24 T A -1.6521
25 K A -1.9201
26 S A -1.2486
27 A A 0.0000
28 I A -0.0001
29 I A 0.0000
30 Q A -1.7983
31 N A -2.6307
32 V A -2.3435
33 E A -3.0535
34 K A -3.2745
35 Q A -2.5781
36 D A -2.5419
37 G A -1.6621
38 G A -1.3204
39 W A -0.9830
40 W A -1.5847
41 R A -1.8917
42 G A 0.0000
43 D A -1.8534
44 Y A -0.8652
45 G A -0.8824
46 G A -1.3517
47 K A -1.9106
48 K A -2.6862
49 Q A -1.9948
50 L A -1.2781
51 W A -0.9392
52 F A 0.0000
53 P A 0.0000
54 S A -1.2919
55 N A -1.2296
56 Y A -0.9204
57 V A 0.0000
58 E A -3.0570
59 E A -2.9222
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Laboratory of Theory of Biopolymers 2018