Project name: d7b428fe6a3c839

Status: done

Started: 2026-05-21 16:01:27
Settings
Chain sequence(s) A: FGGHKFG
C: FGGHKFG
B: FGGHKFG
E: FGGHKFG
D: FGGHKFG
G: FGGHKFG
F: FGGHKFG
H: FGGHKFG
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)
Show buried residues

Minimal score value
-2.8645
Maximal score value
2.1214
Average score
-0.5302
Total score value
-29.6895

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 1.5326
2 G A 0.0649
3 G A -1.3017
4 H A 0.0000
5 K A -2.8379
6 F A 0.0000
7 G A -0.9884
1 F B 1.9148
2 G B 0.0273
3 G B -1.1472
4 H B -1.5691
5 K B -2.5003
6 F B -0.6223
7 G B -0.6207
1 F C 1.9852
2 G C 0.3638
3 G C -1.0365
4 H C -1.2574
5 K C -2.6659
6 F C -1.1988
7 G C -1.2002
1 F D 1.5581
2 G D 0.3178
3 G D -1.1600
4 H D 0.0000
5 K D -2.8645
6 F D 0.0000
7 G D -1.4352
1 F E 2.1214
2 G E 0.4133
3 G E -1.0070
4 H E -1.3885
5 K E -2.6170
6 F E -0.7158
7 G E -0.7660
1 F F 2.0328
2 G F 0.2982
3 G F -0.8954
4 H F -1.2101
5 K F -2.1285
6 F F 0.0291
7 G F -0.3717
1 F G 1.6684
2 G G 0.2220
3 G G -1.2428
4 H G 0.0000
5 K G -2.6086
6 F G 0.0000
7 G G -0.9068
1 F H 1.3659
2 G H 0.0310
3 G H -1.2922
4 H H 0.0000
5 K H -2.8291
6 F H 0.0000
7 G H -1.2505
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Laboratory of Theory of Biopolymers 2018