Project name: 1BK2_M [mutate: EA7M, KA60M]

Status: done

submitted: 2019-03-29 14:39:25, status changed: 2019-03-29 14:45:13
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Chain sequence(s) A: KELVLALYDYQEKSPREVTMKKGDILTLLNSTNKDWWKVEVNGRQGFVPAAYVKKLD
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA7M, KA60M
Energy difference between WT (input) and mutated protein (by FoldX) -1.7027 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
1.0203
Average score
-1.0752
Total score value
-61.2843

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 -1.5865
7 M A -0.4646 mutated: EA7M
8 L A 0.6529
9 V A 0.0000
10 L A 0.5843
11 A A 0.0000
12 L A -0.1063
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 1.0203
31 L A 0.0000
32 T A -0.2394
33 L A 0.0000
34 L A -0.6808
35 N A -1.0241
36 S A -1.2911
37 T A -1.2828
38 N A -2.3848
39 K A -2.9443
40 D A -2.6801
41 W A -1.3800
42 W A -0.9197
43 K A -1.1326
44 V A 0.0000
45 E A -1.9728
46 V A -1.8414
47 N A -2.2376
48 G A -2.3973
49 R A -3.1932
50 Q A -2.8699
51 G A 0.0000
52 F A -1.1200
53 V A 0.0000
54 P A -0.5462
55 A A -0.9967
56 A A -0.2160
57 Y A 0.2413
58 V A 0.0000
59 K A -0.3767
60 M A 0.0875 mutated: KA60M
61 L A 0.1445
62 D A -1.5207

 

Laboratory of Theory of Biopolymers 2015