Project name: 9c3c47ff365fccc

Status: done

Started: 2026-04-12 22:34:21
Settings
Chain sequence(s) A: CSTVSPGVLAGIVVGDLVLTVLIALAVYFLGRL
B: CSTVSPGVLAGIVVGDLVLTVLIALAVYFLGRL
input PDB
Selected Chain(s) A,B
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)
Show buried residues

Minimal score value
-0.9318
Maximal score value
3.9836
Average score
1.9492
Total score value
124.7466

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 C A 1.0053
2 S A 0.5358
3 T A 0.5057
4 V A 1.0668
5 S A 0.4239
6 P A 0.4297
7 G A 0.5323
8 V A 2.0122
9 L A 1.7306
10 A A 1.2989
11 G A 1.3638
12 I A 2.3205
13 V A 2.3727
14 V A 2.9234
15 G A 1.8781
16 D A 2.4631
17 L A 3.0245
18 V A 2.8014
19 L A 2.6585
20 T A 2.1579
21 V A 3.3270
22 L A 3.4730
23 I A 2.7150
24 A A 2.8258
25 L A 3.9836
26 A A 2.9078
27 V A 2.8170
28 Y A 3.8076
29 F A 3.7181
30 L A 2.6044
31 G A 1.1113
32 R A -0.9318
1 C B 0.9546
2 S B 0.4132
3 T B 0.4603
4 V B 0.7085
5 S B 0.3377
6 P B 0.3501
7 G B 0.4227
8 V B 1.8830
9 L B 1.7233
10 A B 1.2350
11 G B 1.1762
12 I B 2.1786
13 V B 2.5108
14 V B 2.8754
15 G B 2.0174
16 D B 2.5470
17 L B 3.1811
18 V B 3.2916
19 L B 2.6291
20 T B 2.2528
21 V B 2.9849
22 L B 3.1524
23 I B 2.3963
24 A B 2.3280
25 L B 2.9903
26 A B 2.6206
27 V B 2.1290
28 Y B 2.5885
29 F B 2.8791
30 L B 1.9991
31 G B 0.1674
32 R B -0.5013
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Laboratory of Theory of Biopolymers 2018