Project name: IVIVKGH8

Status: done

Started: 2026-02-10 06:43:24
Settings
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)
Show buried residues

Minimal score value
-2.4726
Maximal score value
4.4853
Average score
0.8327
Total score value
46.6333

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 4.4262
2 V A 4.1906
3 I A 3.3002
4 V A 0.9340
5 K A -1.9979
6 G A -2.3780
7 H A -2.2211
1 I B 4.4719
2 V B 4.2192
3 I B 3.6594
4 V B 1.1118
5 K B -1.6284
6 G B -2.2474
7 H B -2.3561
1 I C 4.3896
2 V C 4.3948
3 I C 3.5630
4 V C 1.0906
5 K C -1.5711
6 G C -2.2272
7 H C -2.1147
1 I D 4.4853
2 V D 4.4756
3 I D 3.6079
4 V D 0.9632
5 K D -1.6726
6 G D -2.3230
7 H D -2.2518
1 I E 4.4315
2 V E 0.0000
3 I E 3.4340
4 V E 0.8320
5 K E -1.8245
6 G E -2.4509
7 H E -2.2667
1 I F 4.3218
2 V F 4.2896
3 I F 3.6552
4 V F 0.9840
5 K F -1.6290
6 G F -2.2796
7 H F -2.1643
1 I G 4.4463
2 V G 4.3831
3 I G 3.6152
4 V G 1.0297
5 K G -1.8543
6 G G -2.4010
7 H G -2.2855
1 I H 4.1337
2 V H 0.0000
3 I H 3.6090
4 V H 0.9062
5 K H -1.8225
6 G H -2.4726
7 H H -2.2811
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Laboratory of Theory of Biopolymers 2018