Project name: a832c69b59d09c1

Status: done

Started: 2026-06-27 14:36:12
Settings
Chain sequence(s) A: RADARADARADARADA
C: RADARADARADARADA
B: RADARADARADARADA
D: RADARADARADARADA
input PDB
Selected Chain(s) A,C,B,D
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)
Show buried residues

Minimal score value
-4.2327
Maximal score value
0.0
Average score
-2.2608
Total score value
-144.6896

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 R A -2.8657
2 A A -2.1601
3 D A -3.2366
4 A A -3.1827
5 R A -4.2154
6 A A 0.0000
7 D A -3.3425
8 A A 0.0000
9 R A -2.8838
10 A A -2.1982
11 D A -2.5885
12 A A 0.0000
13 R A -2.7273
14 A A -1.8983
15 D A -2.7946
16 A A 0.0000
1 R B -3.0661
2 A B -2.1789
3 D B -3.2526
4 A B -3.1228
5 R B -4.2327
6 A B -3.0437
7 D B -3.5254
8 A B 0.0000
9 R B -2.8451
10 A B -2.2725
11 D B -2.9213
12 A B 0.0000
13 R B -2.4157
14 A B -1.5985
15 D B -2.0934
16 A B 0.0000
1 R C -2.9044
2 A C -2.1684
3 D C -3.1945
4 A C -3.0854
5 R C -4.1487
6 A C -2.9785
7 D C -3.3212
8 A C 0.0000
9 R C -2.9550
10 A C -2.1105
11 D C -2.2185
12 A C 0.0000
13 R C -2.4379
14 A C -1.4688
15 D C -2.0796
16 A C 0.0000
1 R D -2.9982
2 A D -2.0935
3 D D -3.0939
4 A D -2.9102
5 R D -3.8737
6 A D -2.9149
7 D D -3.3872
8 A D 0.0000
9 R D -3.0068
10 A D -2.3716
11 D D -3.0476
12 A D 0.0000
13 R D -2.6267
14 A D -1.7958
15 D D -2.4809
16 A D -2.3548
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Laboratory of Theory of Biopolymers 2018