Project name: 3fb6d6c8f90cd49

Status: done

Started: 2026-06-27 14:35:50
Settings
Chain sequence(s) A: RADARADARADARADA
B: RADARADARADARADA
input PDB
Selected Chain(s) A,B
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)
Show buried residues

Minimal score value
-4.6575
Maximal score value
0.0
Average score
-2.7909
Total score value
-89.3097

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 -2.7335
2 A A -1.8661
3 D A -2.9250
4 A A -3.2115
5 R A -4.5950
6 A A -3.0447
7 D A -3.6074
8 A A 0.0000
9 R A -4.5241
10 A A -2.7073
11 D A -3.6368
12 A A 0.0000
13 R A -3.4738
14 A A -2.1799
15 D A -3.0333
16 A A -1.8684
1 R B -2.8828
2 A B -2.0025
3 D B -3.1798
4 A B -3.3530
5 R B -4.6575
6 A B -3.2374
7 D B -3.9989
8 A B 0.0000
9 R B -4.4745
10 A B -2.9382
11 D B -4.0024
12 A B 0.0000
13 R B -3.7437
14 A B -2.3567
15 D B -3.1440
16 A B -1.9315
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018