Project name: 1BK2_I [mutate: EA7I, KA60I]

Status: done

submitted: 2019-03-29 14:38:28, status changed: 2019-03-29 14:44:54
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Chain sequence(s) A: KELVLALYDYQEKSPREVTMKKGDILTLLNSTNKDWWKVEVNGRQGFVPAAYVKKLD
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA7I, KA60I
Energy difference between WT (input) and mutated protein (by FoldX) -0.0338305 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
-3.2006
Maximal score value
1.055
Average score
-1.0645
Total score value
-60.6787

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 -1.4788
7 I A -0.1572 mutated: EA7I
8 L A 0.8844
9 V A 0.0000
10 L A 0.6502
11 A A 0.0000
12 L A -0.2052
13 Y A -0.7435
14 D A -2.9317
15 Y A 0.0000
16 Q A -2.5738
17 E A -2.4261
18 K A -2.6842
19 S A -1.8071
20 P A -1.5015
21 R A -2.1733
22 E A 0.0000
23 V A 0.0000
24 T A -2.2809
25 M A 0.0000
26 K A -3.2006
27 K A -2.6099
28 G A -1.3847
29 D A -0.8771
30 I A 1.0550
31 L A 0.0000
32 T A -0.1136
33 L A 0.0000
34 L A -0.6146
35 N A -1.0859
36 S A -1.4162
37 T A -1.4228
38 N A -2.6134
39 K A -3.0558
40 D A -2.7469
41 W A -1.4439
42 W A -0.9829
43 K A -1.1365
44 V A 0.0000
45 E A -1.9383
46 V A -1.8315
47 N A -2.2315
48 G A -2.3895
49 R A -3.1699
50 Q A -2.8133
51 G A 0.0000
52 F A -1.0769
53 V A 0.0000
54 P A -0.5554
55 A A -0.9863
56 A A -0.2315
57 Y A 0.1897
58 V A 0.0000
59 K A -0.1719
60 I A 0.5542 mutated: KA60I
61 L A 0.3962
62 D A -1.3443

 

Laboratory of Theory of Biopolymers 2015