Project name: 1258 [mutate: SA36R] [mutate: VA23K]

Status: done

submitted: 2018-01-12 15:50:17, status changed: 2018-01-12 16:00:12
Settings
Chain sequence(s) A: KELVLALYDYQEKSPREVTMKKGDILTLLNRTNKDWWKVEVNDRQGFVPAAYVKKLD
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA23K
Energy difference between WT (input) and mutated protein (by FoldX) 2.01602 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.4064
Maximal score value
0.8961
Average score
-1.3517
Total score value
-77.0467

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
6 K A -2.0931
7 E A -1.9081
8 L A -0.3568
9 V A 0.0000
10 L A 0.1434
11 A A 0.0000
12 L A -0.2699
13 Y A -0.7411
14 D A -2.6089
15 Y A 0.0000
16 Q A -2.5839
17 E A -2.6853
18 K A -2.7229
19 S A -1.7851
20 P A -1.3849
21 R A -1.8785
22 E A 0.0000
23 K A -1.9440 mutated: VA23K
24 T A -2.0546
25 M A 0.0000
26 K A -3.0405
27 K A -2.5317
28 G A -1.3531
29 D A -0.9822
30 I A 0.8961
31 L A 0.0000
32 T A -0.7214
33 L A 0.0000
34 L A -1.0335
35 N A -1.6456
36 R A -2.5927
37 T A -2.1523
38 N A -3.2077
39 K A -3.4064
40 D A -2.9857
41 W A -1.7625
42 W A -1.5072
43 K A -1.4371
44 V A 0.0000
45 E A -1.8991
46 V A 0.0000
47 N A -2.5740
48 D A -3.2932
49 R A -3.0106
50 Q A -2.6113
51 G A 0.0000
52 F A -1.0104
53 V A 0.0000
54 P A -0.6284
55 A A -1.4856
56 A A -0.3182
57 Y A 0.1291
58 V A 0.0000
59 K A -1.3308
60 K A -1.6678
61 L A -0.8045
62 D A -2.2047

 

Laboratory of Theory of Biopolymers 2015