Project name: 1BK2_L [mutate: EA7L, KA60L]

Status: done

submitted: 2019-03-29 14:38:57, status changed: 2019-03-29 14:45:12
Settings
Chain sequence(s) A: KELVLALYDYQEKSPREVTMKKGDILTLLNSTNKDWWKVEVNGRQGFVPAAYVKKLD
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA7L, KA60L
Energy difference between WT (input) and mutated protein (by FoldX) -0.855906 kcal/mol

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
-3.1932
Maximal score value
1.0646
Average score
-1.0414
Total score value
-59.3572

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 -1.4926
7 L A -0.1861 mutated: EA7L
8 L A 0.8593
9 V A 0.0000
10 L A 0.6898
11 A A 0.0000
12 L A -0.1036
13 Y A -0.5635
14 D A -2.8306
15 Y A 0.0000
16 Q A -2.5689
17 E A -2.4392
18 K A -2.6873
19 S A -1.8112
20 P A -1.5054
21 R A -2.1888
22 E A 0.0000
23 V A 0.0000
24 T A -2.3115
25 M A 0.0000
26 K A -3.1233
27 K A -2.4623
28 G A -1.3076
29 D A -0.8099
30 I A 1.0646
31 L A 0.0000
32 T A -0.1391
33 L A 0.0000
34 L A -0.6496
35 N A -1.0123
36 S A -1.2916
37 T A -1.2927
38 N A -2.3923
39 K A -2.9492
40 D A -2.6841
41 W A -1.3869
42 W A -0.9330
43 K A -1.1394
44 V A 0.0000
45 E A -1.9722
46 V A -1.8414
47 N A -2.2376
48 G A -2.3973
49 R A -3.1932
50 Q A -2.8695
51 G A 0.0000
52 F A -1.1239
53 V A 0.0000
54 P A -0.5480
55 A A -0.9566
56 A A -0.2145
57 Y A 0.2432
58 V A 0.0000
59 K A -0.1686
60 L A 0.5370 mutated: KA60L
61 L A 0.3871
62 D A -1.3534

 

Laboratory of Theory of Biopolymers 2015