Project name: SKGHKGH8

Status: done

Started: 2026-05-21 12:28:45
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Chain sequence(s) A: SKGHKGH
C: SKGHKGH
B: SKGHKGH
E: SKGHKGH
D: SKGHKGH
G: SKGHKGH
F: SKGHKGH
H: SKGHKGH
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]                                                (00:00:00)
[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                                          (00:08:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:05)
Show buried residues

Minimal score value
-6.4018
Maximal score value
0.0
Average score
-3.2381
Total score value
-181.3331

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 S A -4.7668
2 K A -4.4753
3 G A -3.7633
4 H A -5.2552
5 K A -5.6213
6 G A 0.0000
7 H A -4.2669
1 S B -4.2848
2 K B -5.2402
3 G B 0.0000
4 H B 0.0000
5 K B -6.4018
6 G B -4.2647
7 H B -4.2590
1 S C -3.6292
2 K C -5.4057
3 G C 0.0000
4 H C -5.6619
5 K C -6.2064
6 G C -4.1193
7 H C -3.7450
1 S D -2.1510
2 K D -4.6182
3 G D 0.0000
4 H D -4.2257
5 K D 0.0000
6 G D 0.0000
7 H D -3.4967
1 S E 0.0000
2 K E -4.3071
3 G E -3.6080
4 H E -3.5254
5 K E -3.2199
6 G E -2.0624
7 H E -1.6344
1 S F -2.1230
2 K F -3.8909
3 G F 0.0000
4 H F -4.5429
5 K F -5.1767
6 G F 0.0000
7 H F -4.1305
1 S G -2.2376
2 K G -3.8394
3 G G 0.0000
4 H G -4.5022
5 K G -5.2829
6 G G 0.0000
7 H G -4.2302
1 S H -3.8228
2 K H -3.6111
3 G H -4.1683
4 H H -4.7766
5 K H -4.2212
6 G H -3.1647
7 H H -3.3965
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Laboratory of Theory of Biopolymers 2018