Project name: CM254-286 ETICTL

Status: done

Started: 2026-03-07 15:21:07
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Chain sequence(s) A: ETICTL
C: ETICTL
B: ETICTL
E: ETICTL
D: ETICTL
G: ETICTL
F: ETICTL
I: ETICTL
H: ETICTL
J: ETICTL
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,J
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-3.385
Maximal score value
1.9473
Average score
-0.0877
Total score value
-5.2598

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 E C -3.0348
2 T C -1.1755
3 I C 0.2098
4 C C 0.0000
5 T C 1.1505
6 L C 1.3385
1 E A -2.2931
2 T A -0.6609
3 I A 1.0112
4 C A 1.6306
5 T A 1.3972
6 L A 1.9114
1 E B -2.4729
2 T B -0.9004
3 I B 0.3589
4 C B 1.0736
5 T B 0.9446
6 L B 1.5921
1 E D -3.1101
2 T D -1.4481
3 I D -0.1024
4 C D 0.0000
5 T D 0.8538
6 L D 1.0801
1 E E -3.3850
2 T E -1.5844
3 I E -0.0079
4 C E 0.0000
5 T E 0.5163
6 L E 0.9695
1 E F -3.3662
2 T F -1.5601
3 I F 0.0012
4 C F 0.0000
5 T F 0.5496
6 L F 1.0246
1 E G -2.9572
2 T G -1.0270
3 I G 0.1629
4 C G 0.0000
5 T G 0.8460
6 L G 0.9246
1 E I -2.2130
2 T I -0.1649
3 I I 1.3099
4 C I 0.0000
5 T I 0.8847
6 L I 1.2602
1 E H -2.9193
2 T H -0.8787
3 I H 0.3402
4 C H 0.0000
5 T H 1.1440
6 L H 1.4348
1 E J -2.1335
2 T J -0.1786
3 I J 1.5367
4 C J 1.5333
5 T J 1.3761
6 L J 1.9473
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Laboratory of Theory of Biopolymers 2018