Project name: ce115da43e14490

Status: done

Started: 2026-02-12 09:09:17
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Chain sequence(s) A: GGGHKFG
C: GGGHKFG
B: GGGHKFG
E: GGGHKFG
D: GGGHKFG
G: GGGHKFG
F: GGGHKFG
H: GGGHKFG
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)
Show buried residues

Minimal score value
-3.1276
Maximal score value
0.0
Average score
-1.5889
Total score value
-88.9804

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 -1.3740
2 G A -1.6007
3 G A -1.9990
4 H A -2.0163
5 K A -2.6389
6 F A 0.0000
7 G A -1.4020
1 G B -1.4210
2 G B -1.5746
3 G B -2.1444
4 H B -2.1792
5 K B -2.9548
6 F B 0.0000
7 G B -1.3630
1 G C -1.2188
2 G C -1.3941
3 G C -2.1588
4 H C -2.2423
5 K C -2.6418
6 F C -0.9456
7 G C -0.9026
1 G D -1.2081
2 G D -1.2694
3 G D -1.7896
4 H D -1.6332
5 K D -2.5756
6 F D -1.3585
7 G D -1.1152
1 G E -1.3880
2 G E -1.4379
3 G E -1.9781
4 H E -2.0713
5 K E -2.7749
6 F E 0.0000
7 G E -1.5362
1 G F -1.3439
2 G F -1.5787
3 G F -2.1218
4 H F -2.1090
5 K F -3.1276
6 F F 0.0000
7 G F -1.2860
1 G G -1.0580
2 G G -1.4692
3 G G -2.0049
4 H G -2.2076
5 K G -2.4702
6 F G -0.4691
7 G G -0.6511
1 G H -1.0722
2 G H -1.4355
3 G H -1.7578
4 H H -1.8251
5 K H -2.5337
6 F H -1.1746
7 G H -0.9765
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Laboratory of Theory of Biopolymers 2018