Project name: c3cb633b0c860aa

Status: done

Started: 2026-06-27 15:36:08
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Chain sequence(s) A: KLVFFAE
C: KLVFFAE
B: KLVFFAE
E: KLVFFAE
D: KLVFFAE
G: KLVFFAE
F: KLVFFAE
H: KLVFFAE
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)
Show buried residues

Minimal score value
-2.9304
Maximal score value
4.0717
Average score
0.2273
Total score value
12.7287

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 K A -2.6385
2 L A -0.5819
3 V A 1.1699
4 F A 2.1002
5 F A 0.8850
6 A A -0.8884
7 E A -2.9304
1 K B -2.5481
2 L B -0.3475
3 V B 1.1738
4 F B 2.1713
5 F B 0.9620
6 A B -0.9532
7 E B -2.9121
1 K C -2.8397
2 L C -0.2702
3 V C 1.4440
4 F C 2.3191
5 F C 1.1470
6 A C -0.7288
7 E C -2.8466
1 K D -2.2186
2 L D -0.0163
3 V D 2.1734
4 F D 3.4084
5 F D 2.2334
6 A D -0.0056
7 E D -2.3648
1 K E -1.4404
2 L E 1.5400
3 V E 3.4042
4 F E 3.9346
5 F E 2.8130
6 A E 0.2445
7 E E -1.9951
1 K F -1.0844
2 L F 1.7710
3 V F 3.2763
4 F F 4.0717
5 F F 1.9301
6 A F -0.1077
7 E F -2.0284
1 K G -2.5020
2 L G -0.0774
3 V G 1.6793
4 F G 3.2719
5 F G 2.2468
6 A G 0.2251
7 E G -2.3488
1 K H -2.6447
2 L H -0.3771
3 V H 1.0957
4 F H 2.3484
5 F H 0.9158
6 A H -0.6930
7 E H -2.8375
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Laboratory of Theory of Biopolymers 2018