Project name: d7192bda83f0c9a

Status: done

Started: 2024-04-26 00:26:14
Settings
Chain sequence(s) A: GIVEQCCTSICSLYQLENYCN
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-1.187
Maximal score value
2.1423
Average score
0.6096
Total score value
12.8007

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 0.0779
2 I A 1.1300
3 V A 1.5561
4 E A -0.5929
5 Q A 0.1071
6 C A 1.3202
7 C A 1.3706
8 T A 0.4540
9 S A 0.7785
10 I A 2.1423
11 C A 1.6252
12 S A 1.3227
13 L A 1.9313
14 Y A 1.3242
15 Q A 0.5844
16 L A 1.0923
17 E A -0.8925
18 N A -0.9845
19 Y A 0.0218
20 C A -0.3810
21 N A -1.1870
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Laboratory of Theory of Biopolymers 2018