Project name: C dog ion

Status: done

Started: 2024-07-03 19:05:35
Settings
Chain sequence(s) A: GIPFFPSSLKRLLIIVVVIELVVKVIVGALLMGL
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)
Show buried residues

Minimal score value
-0.6108
Maximal score value
5.0272
Average score
2.5322
Total score value
86.096

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 G A 0.7475
2 I A 2.2910
3 P A 1.6902
4 F A 2.4260
5 F A 1.2997
6 P A 0.0663
7 S A -0.5155
8 S A -0.6108
9 L A 0.6479
10 K A -0.2262
11 R A -0.2444
12 L A 2.2921
13 L A 3.1846
14 I A 4.1548
15 I A 4.8331
16 V A 4.4284
17 V A 4.9418
18 V A 5.0272
19 I A 4.5074
20 E A 2.2636
21 L A 3.5018
22 V A 3.9145
23 V A 3.0727
24 K A 1.5660
25 V A 3.4752
26 I A 3.8319
27 V A 3.4161
28 G A 2.7931
29 A A 3.1381
30 L A 3.6749
31 L A 3.5634
32 M A 2.8508
33 G A 1.7822
34 L A 2.3106
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Laboratory of Theory of Biopolymers 2018