Project name: db17f4be149171d

Status: done

Started: 2026-02-12 15:43:38
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Chain sequence(s) A: IVIVKGH
C: IVIVKGH
B: IVIVKGH
E: IVIVKGH
D: IVIVKGH
G: IVIVKGH
F: IVIVKGH
H: IVIVKGH
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                                          (00:01:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:00)
Show buried residues

Minimal score value
-2.4148
Maximal score value
3.8717
Average score
0.5781
Total score value
32.3752

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 I A 2.3430
2 V A 3.0130
3 I A 0.0000
4 V A 1.5382
5 K A -1.0283
6 G A -1.5458
7 H A -2.2995
1 I B 2.5707
2 V B 3.2656
3 I B 0.0000
4 V B 1.3000
5 K B -1.3405
6 G B -1.8629
7 H B -2.4148
1 I C 3.4049
2 V C 3.8257
3 I C 2.8014
4 V C 1.5622
5 K C -1.5488
6 G C -1.8192
7 H C -2.0893
1 I D 3.2781
2 V D 3.6876
3 I D 2.6764
4 V D 1.4705
5 K D -1.5790
6 G D -1.8092
7 H D -2.0829
1 I E 2.5428
2 V E 3.2057
3 I E 0.0000
4 V E 1.3057
5 K E -1.3148
6 G E -1.7782
7 H E -2.4074
1 I F 2.6327
2 V F 3.2191
3 I F 0.0000
4 V F 1.4501
5 K F -1.2262
6 G F -1.6796
7 H F -2.3606
1 I G 3.3503
2 V G 3.8717
3 I G 2.6301
4 V G 1.7664
5 K G -1.2860
6 G G -1.6481
7 H G -2.0434
1 I H 2.7353
2 V H 3.5233
3 I H 2.6324
4 V H 1.9879
5 K H -0.7631
6 G H -1.3886
7 H H -1.8994
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Laboratory of Theory of Biopolymers 2018