Project name: 1eddf09020249ed

Status: done

Started: 2026-05-20 10:48:02
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Chain sequence(s) A: FEKGHFEF
C: FEKGHFEF
B: FEKGHFEF
E: FEKGHFEF
D: FEKGHFEF
G: FEKGHFEF
F: FEKGHFEF
H: FEKGHFEF
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]                                                (00:00:00)
[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                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)
Show buried residues

Minimal score value
-2.3004
Maximal score value
2.4872
Average score
0.0393
Total score value
2.5167

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 F A 2.1253
2 E A 0.6410
3 K A -0.6755
4 G A 0.0000
5 H A -1.3377
6 F A -0.8579
7 E A -0.7040
8 F A 1.0577
1 F B 1.1948
2 E B -1.3264
3 K B -2.2163
4 G B -1.5274
5 H B -1.6356
6 F B -0.6117
7 E B -0.7696
8 F B 1.4822
1 F C 2.4872
2 E C 0.8098
3 K C -0.3007
4 G C 0.0000
5 H C -0.8097
6 F C -0.5271
7 E C -0.0324
8 F C 1.4600
1 F D 2.2978
2 E D 0.6205
3 K D -0.3128
4 G D 0.0000
5 H D -0.7792
6 F D -0.3550
7 E D 0.1637
8 F D 1.5594
1 F E 2.3416
2 E E 0.7123
3 K E -0.3092
4 G E 0.0000
5 H E -0.7401
6 F E -0.2112
7 E E 0.3271
8 F E 1.8497
1 F F 2.4296
2 E F 0.5905
3 K F -0.3250
4 G F 0.0000
5 H F -0.8411
6 F F -0.4498
7 E F 0.1205
8 F F 1.8142
1 F G 1.0934
2 E G -1.4252
3 K G -2.3004
4 G G -1.5481
5 H G -1.6512
6 F G -0.6552
7 E G -0.8002
8 F G 1.4442
1 F H 2.1359
2 E H 0.6274
3 K H -0.6576
4 G H 0.0000
5 H H -1.3518
6 F H -0.8914
7 E H -0.8629
8 F H 0.9303
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Laboratory of Theory of Biopolymers 2018