Project name: AF-Q6MZM9-default-c70

Status: done

Started: 2021-08-04 22:47:46
Settings
Chain sequence(s) A: MKLLLWACIVCVAFARKSP
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                                          (00:00:12)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-1.6275
Maximal score value
3.854
Average score
1.7084
Total score value
32.4599

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 1.5506
2 K A 0.6050
3 L A 2.5834
4 L A 3.3447
5 L A 3.1401
6 W A 3.3421
7 A A 2.9076
8 C A 3.6764
9 I A 3.8540
10 V A 2.9962
11 C A 2.6673
12 V A 2.1010
13 A A 1.2606
14 F A 1.7491
15 A A 0.3508
16 R A -1.5737
17 K A -1.6275
74 S A -0.2129
113 P A -0.2549
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Laboratory of Theory of Biopolymers 2018