Project name: 65ee33a8537b72c

Status: done

Started: 2025-07-15 04:57:00
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Chain sequence(s) A: NFGAILS
C: NFGAILS
B: NFGAILS
E: NFGAILS
D: NFGAILS
G: NFGAILS
F: NFGAILS
H: NFGAILS
input PDB
Selected Chain(s) A,C,B,E,D,G,F,H
Distance of aggregation 5 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 all 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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)
Show buried residues

Minimal score value
-1.2787
Maximal score value
2.1779
Average score
0.2895
Total score value
16.2104

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 N A -1.2787
2 F A 0.0942
3 G A 0.0000
4 A A 0.2585
5 I A 1.3037
6 L A 0.0000
7 S A -0.3683
1 N B -1.1722
2 F B 0.5334
3 G B 0.0000
4 A B 0.0000
5 I B 0.3997
6 L B 0.8017
7 S B -0.1315
1 N C -0.9439
2 F C 1.6227
3 G C 0.0644
4 A C 0.2972
5 I C 2.1779
6 L C 1.2417
7 S C -0.1956
1 N D -0.9302
2 F D 1.6278
3 G D -0.0368
4 A D 0.0497
5 I D 0.9086
6 L D 1.5689
7 S D -0.0808
1 N E -1.2280
2 F E 0.2138
3 G E 0.2612
4 A E 0.3131
5 I E 1.6936
6 L E 0.5415
7 S E -0.4619
1 N F -1.1621
2 F F 0.5714
3 G F 0.2212
4 A F 0.0000
5 I F 0.3109
6 L F 0.8500
7 S F -0.2143
1 N G -1.1476
2 F G 0.5190
3 G G -0.0986
4 A G 0.2945
5 I G 2.1329
6 L G 1.0599
7 S G -0.2418
1 N H -0.9414
2 F H 1.6650
3 G H 0.1508
4 A H 0.1779
5 I H 1.3890
6 L H 1.6208
7 S H -0.0925
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Laboratory of Theory of Biopolymers 2018