Project name: DAW1binder

Status: done

Started: 2026-07-09 11:36:03
Settings
Chain sequence(s) A: EEEEKKKLEERIKKYVEETGPPEGVPKEEYIKRLLEELLKQKEIYDRLLERGGNQSRN
input PDB
Selected Chain(s) A
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 A 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                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)
Show buried residues

Minimal score value
-5.4446
Maximal score value
0.0
Average score
-2.8311
Total score value
-164.2064

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 A -4.4303
2 E A -4.9856
3 E A -5.2822
4 E A -5.4446
5 K A -5.0541
6 K A -5.3952
7 K A -4.7758
8 L A -3.8830
9 E A -4.2581
10 E A -4.6769
11 R A -4.2950
12 I A 0.0000
13 K A -4.1685
14 K A -4.0621
15 Y A -2.2801
16 V A 0.0000
17 E A -3.6847
18 E A -3.0395
19 T A -1.5593
20 G A -1.8927
21 P A -1.6938
22 P A -1.2629
23 E A -2.1746
24 G A -1.3743
25 V A -1.2229
26 P A -1.7102
27 K A -2.9796
28 E A -3.4074
29 E A -2.9385
30 Y A -2.3955
31 I A -3.2987
32 K A -4.0030
33 R A -3.5409
34 L A -2.4106
35 L A 0.0000
36 E A -3.5908
37 E A -3.6308
38 L A -2.1882
39 L A -2.5212
40 K A -3.1355
41 Q A -2.5698
42 K A -2.7624
43 E A -2.8112
44 I A -0.5249
45 Y A -1.1800
46 D A -2.9398
47 R A -2.8234
48 L A -1.1597
49 L A -1.5894
50 E A -3.2551
51 R A -3.1533
52 G A -2.1436
53 G A -1.9503
54 N A -2.1966
55 Q A -2.6647
56 S A -2.3791
57 R A -3.0852
58 N A -2.3708
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Laboratory of Theory of Biopolymers 2018