Project name: CMProt B1 LAVFIN

Status: done

Started: 2026-02-12 10:05:56
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Chain sequence(s) A: LAVFIN
C: LAVFIN
B: LAVFIN
E: LAVFIN
D: LAVFIN
G: LAVFIN
F: LAVFIN
I: LAVFIN
H: LAVFIN
J: LAVFIN
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-1.9736
Maximal score value
2.925
Average score
0.756
Total score value
45.3602

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
3 L C 1.4940
4 A C 1.7529
5 V C 0.0000
6 F C 1.5206
7 I C 0.0000
8 N C -1.4048
3 L A 2.0345
4 A A 1.9295
5 V A 2.9250
6 F A 2.1978
7 I A 1.3070
8 N A -0.8610
3 L B 1.7839
4 A B 1.7805
5 V B 2.6191
6 F B 2.3191
7 I B 1.1796
8 N B -0.8309
3 L E 1.2521
4 A E 1.0847
5 V E 0.0000
6 F E 0.8658
7 I E 0.0000
8 N E -1.9736
3 L D 1.3334
4 A D 1.6068
5 V D 0.0000
6 F D 1.4753
7 I D 0.0000
8 N D -1.3941
3 L F 1.2233
4 A F 1.0579
5 V F 0.0000
6 F F 0.8898
7 I F 0.0000
8 N F -1.6173
3 L G 1.3348
4 A G 1.5316
5 V G 0.0000
6 F G 1.2795
7 I G 0.0000
8 N G -1.6238
3 L H 1.3957
4 A H 1.5760
5 V H 0.0000
6 F H 1.2754
7 I H 0.0000
8 N H -1.3324
3 L I 1.6682
4 A I 1.6264
5 V I 0.0000
6 F I 1.9277
7 I I 0.0000
8 N I -1.0513
3 L J 1.8678
4 A J 1.7478
5 V J 2.3579
6 F J 2.1918
7 I J 0.9464
8 N J -0.9102
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Laboratory of Theory of Biopolymers 2018