Project name: 25bdc5b38fa37f0

Status: done

Started: 2025-07-15 04:55:26
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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 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 all 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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-0.9108
Maximal score value
2.5958
Average score
0.8369
Total score value
46.8686

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 -0.6657
2 F A 0.8687
3 G A 0.0000
4 A A 2.1883
5 I A 2.1468
6 L A 0.0000
7 S A -0.3187
1 N B -0.5246
2 F B 1.1553
3 G B 0.0000
4 A B 0.0000
5 I B 1.0364
6 L B 1.1031
7 S B 0.0284
1 N C -0.4611
2 F C 1.2602
3 G C 1.1241
4 A C 1.7542
5 I C 2.5958
6 L C 1.6395
7 S C 0.2310
1 N D -0.1457
2 F D 1.4750
3 G D 0.7654
4 A D 1.1729
5 I D 1.4333
6 L D 1.6965
7 S D 0.3649
1 N E -0.7294
2 F E 0.7649
3 G E 1.4940
4 A E 2.2604
5 I E 2.2199
6 L E 0.6021
7 S E -0.5103
1 N F -0.3049
2 F F 1.2848
3 G F 1.2186
4 A F 0.0000
5 I F 1.1540
6 L F 1.1501
7 S F 0.0269
1 N G -0.9108
2 F G 0.4577
3 G G 0.7625
4 A G 1.8021
5 I G 2.5242
6 L G 1.2911
7 S G 0.1497
1 N H -0.2810
2 F H 1.6230
3 G H 1.1468
4 A H 1.4796
5 I H 1.8525
6 L H 1.8922
7 S H 0.5239
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Laboratory of Theory of Biopolymers 2018