Project name: d314ec9df6c3826

Status: done

Started: 2026-02-11 11:08:30
Settings
Chain sequence(s) A: GGKGHFG
C: GGKGHFG
B: GGKGHFG
E: GGKGHFG
D: GGKGHFG
G: GGKGHFG
F: GGKGHFG
H: GGKGHFG
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)
Show buried residues

Minimal score value
-3.6853
Maximal score value
0.0
Average score
-1.4367
Total score value
-80.458

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 -1.7139
2 G A 0.0000
3 K A -2.8647
4 G A 0.0000
5 H A -2.1590
6 F A 0.0000
7 G A -1.5203
1 G B -1.1349
2 G B 0.0000
3 K B -2.8187
4 G B -2.3669
5 H B -2.1150
6 F B -1.4533
7 G B -1.3038
1 G C -1.3159
2 G C -2.1467
3 K C -2.8916
4 G C -2.2440
5 H C -1.7182
6 F C -0.6236
7 G C -0.8624
1 G D -1.7222
2 G D 0.0000
3 K D -2.7399
4 G D 0.0000
5 H D -2.0153
6 F D 0.0000
7 G D -1.4541
1 G E -1.7340
2 G E 0.0000
3 K E -2.9347
4 G E 0.0000
5 H E -2.1175
6 F E 0.0000
7 G E -1.6844
1 G F -1.4848
2 G F -1.7344
3 K F -2.7856
4 G F 0.0000
5 H F -2.3805
6 F F 0.0000
7 G F -1.6214
1 G G -1.8036
2 G G -2.1136
3 K G -3.1730
4 G G -2.1906
5 H G -1.9670
6 F G -1.0715
7 G G -1.0819
1 G H -1.9454
2 G H 0.0000
3 K H -3.6853
4 G H 0.0000
5 H H -2.3027
6 F H 0.0000
7 G H -1.4617
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Laboratory of Theory of Biopolymers 2018