Project name: 65r4

Status: done

Started: 2025-02-23 23:59:32
Settings
Chain sequence(s) A: MIAGVDQALAATGQASQRAAGASGGVTVGVGVGTEQRNLSVVAPSQFTFSSRSPDFVDETAGQSWCAILGLNQFHFAVTNDGVI
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)
Show buried residues

Minimal score value
-3.2512
Maximal score value
2.6276
Average score
-0.3338
Total score value
-28.0371

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 2.0395
2 I A 2.6276
3 A A 0.9960
4 G A 0.3873
5 V A 1.4759
6 D A -0.5790
7 Q A -1.0650
8 A A 0.0886
9 L A 0.8456
10 A A -0.3358
11 A A -0.5617
12 T A -0.2420
13 G A -0.7448
14 Q A -1.5557
15 A A -1.0963
16 S A -1.3627
17 Q A -2.6703
18 R A -2.6158
19 A A 0.0000
20 A A -1.5149
21 G A -1.4633
22 A A -1.1481
23 S A -0.5997
24 G A -0.4363
25 G A 0.0551
26 V A 0.1005
27 T A 0.1123
28 V A 0.1421
29 G A -0.9531
30 V A 0.0000
31 G A -1.9421
32 V A -1.2921
33 G A -1.3836
34 T A -1.6188
35 E A -3.0461
36 Q A -3.2250
37 R A -3.2512
38 N A -2.2697
39 L A -0.2550
40 S A 0.2944
41 V A 1.3483
42 V A 1.6444
43 A A 0.7406
44 P A -0.3552
45 S A -0.2067
46 Q A 0.1314
47 F A 1.7508
48 T A 1.3419
49 F A 1.9938
50 S A 0.4988
51 S A -0.4134
52 R A -1.7910
53 S A -1.4828
54 P A -0.9639
55 D A -1.0394
56 F A 0.2715
57 V A 0.4921
58 D A -1.7545
59 E A -2.4486
60 T A -1.5027
61 A A -1.0608
62 G A -0.8438
63 Q A -1.3136
64 S A -0.3149
65 W A 0.2008
66 C A 0.1582
67 A A 0.2743
68 I A 0.1666
69 L A 0.6454
70 G A 0.1585
71 L A 1.1186
72 N A 0.1304
73 Q A -0.4178
74 F A 0.0318
75 H A -0.3895
76 F A 0.8188
77 A A 0.6464
78 V A 1.0963
79 T A -0.1168
80 N A -1.2711
81 D A -1.4537
82 G A -0.0872
83 V A 1.7998
84 I A 1.7940
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Laboratory of Theory of Biopolymers 2018