Project name: yomi CPP-INF7-N-6his-NLS-g12-Ne

Status: done

Started: 2025-10-06 12:57:58
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Chain sequence(s) A: MGRKKRRQRRRPPQGLFEAIEGFIENGWEGMIDGWYGNNTHDLVGDVRLAGVHHHHHHPKKKRKVGGRFLVHRYSVLQSVASSRRHKRFAGV
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)
Show buried residues

Minimal score value
-4.9262
Maximal score value
2.2561
Average score
-1.0641
Total score value
-97.9008

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 M A 0.1888
2 G A -1.5237
3 R A -3.3676
4 K A -4.1974
5 K A -4.6580
6 R A -4.9262
7 R A -4.8373
8 Q A -4.5872
9 R A -4.6981
10 R A -4.3384
11 R A -3.7840
12 P A -2.3685
13 P A -1.1665
14 Q A -1.3134
15 G A 0.4916
16 L A 1.9751
17 F A 2.0102
18 E A 0.0260
19 A A 0.8249
20 I A 1.6261
21 E A -0.7908
22 G A -0.8327
23 F A 0.4581
24 I A 0.4798
25 E A -1.8433
26 N A -2.1220
27 G A -0.6529
28 W A -0.2080
29 E A -1.9532
30 G A -1.3326
31 M A -0.1258
32 I A 0.2384
33 D A -1.3462
34 G A -0.5530
35 W A 0.7428
36 Y A 0.6959
37 G A -1.1578
38 N A -2.1263
39 N A -1.8084
40 T A -1.2649
41 H A -2.1670
42 D A -2.2630
43 L A 0.0306
44 V A -0.1356
45 G A -1.1158
46 D A -1.2407
47 V A 0.7852
48 R A -0.5340
49 L A 0.8908
50 A A 0.5505
51 G A 0.3159
52 V A 0.7884
53 H A -1.0854
54 H A -1.9456
55 H A -2.3586
56 H A -2.6205
57 H A -2.6575
58 H A -2.6467
59 P A -2.5950
60 K A -3.8003
61 K A -4.2390
62 K A -4.1441
63 R A -3.7753
64 K A -2.5739
65 V A -0.2893
66 G A -0.6469
67 G A -0.8004
68 R A -0.4180
69 F A 1.9049
70 L A 2.0107
71 V A 1.5315
72 H A -0.2451
73 R A -0.8285
74 Y A 1.0325
75 S A 0.9889
76 V A 2.2561
77 L A 2.2541
78 Q A 0.2611
79 S A 0.6423
80 V A 1.2870
81 A A -0.0467
82 S A -1.0547
83 S A -1.6487
84 R A -3.3595
85 R A -3.8840
86 H A -3.3669
87 K A -3.3675
88 R A -2.5947
89 F A 0.3473
90 A A 0.2785
91 G A 0.7436
92 V A 1.7747
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Laboratory of Theory of Biopolymers 2018