Project name: 65r3

Status: done

Started: 2025-02-23 23:59:16
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)
Show buried residues

Minimal score value
-3.1427
Maximal score value
2.5618
Average score
-0.4268
Total score value
-35.8503

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 1.9956
2 I A 2.5618
3 A A 0.8760
4 G A 0.4957
5 V A 1.3359
6 D A -0.6214
7 Q A -1.1692
8 A A -0.5056
9 L A 0.6516
10 A A -0.3732
11 A A -0.5509
12 T A -0.6726
13 G A -1.0706
14 Q A -1.7390
15 A A -0.9997
16 S A -1.3617
17 Q A -2.0594
18 R A -1.6150
19 A A -0.8027
20 A A -0.5643
21 G A -0.6305
22 A A -0.5655
23 S A -0.5782
24 G A -0.7182
25 G A -0.2166
26 V A 0.0000
27 T A -0.3510
28 V A -0.6098
29 G A -1.5943
30 V A 0.0000
31 G A -1.3521
32 V A -1.3661
33 G A -1.0229
34 T A -1.3325
35 E A -2.9959
36 Q A -3.1427
37 R A -3.1238
38 N A -2.3470
39 L A -0.5418
40 S A 0.0358
41 V A 0.8072
42 V A 1.6175
43 A A 0.4275
44 P A -0.1294
45 S A -0.5547
46 Q A -0.6788
47 F A 0.1600
48 T A 0.2112
49 F A 0.2443
50 S A -0.5075
51 S A -1.2961
52 R A -2.2573
53 S A -1.3505
54 P A -0.8622
55 D A -0.8564
56 F A 1.0018
57 V A 0.5890
58 D A -1.6294
59 E A -2.0766
60 T A -1.3430
61 A A -1.2381
62 G A -1.0976
63 Q A -0.4410
64 S A 0.0583
65 W A 0.9595
66 C A 0.5282
67 A A 0.4915
68 I A 0.4758
69 L A 0.2898
70 G A -0.0550
71 L A 0.8920
72 N A -0.4626
73 Q A -0.6366
74 F A 0.4691
75 H A -0.2289
76 F A 0.7025
77 A A 0.5730
78 V A 0.1389
79 T A -0.5422
80 N A -1.8175
81 D A -1.7746
82 G A -0.2460
83 V A 1.7576
84 I A 2.4788
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Laboratory of Theory of Biopolymers 2018