Project name: 2a3076f97752840 [mutate: VA3E] [mutate: DA2K]

Status: done

submitted: 2018-01-12 16:13:11, status changed: 2018-01-12 16:18:05
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Chain sequence(s) A: IDELLGADDGSLAFVPSEFSISPGEKIVFKNNAGFPHNIVFDEDSIPSGVDASKISMSEEDLLNAKGETFEVALSNKGEYSFYCSPHQGAGMVGKVTVN
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA2K
Energy difference between WT (input) and mutated protein (by FoldX) -1.55452 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
-3.2238
Maximal score value
0.1373
Average score
-1.1514
Total score value
-113.9898

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 I A -0.4421
2 K A -1.5042 mutated: DA2K
3 E A 0.0000
4 L A -0.3750
5 L A 0.0000
6 G A 0.0000
7 A A -1.3441
8 D A -2.6896
9 D A -2.8697
10 G A -1.8102
11 S A -0.9368
12 L A -0.1010
13 A A 0.1373
14 F A 0.0000
15 V A -0.0110
16 P A -0.3957
17 S A -0.7020
18 E A -1.9292
19 F A -0.8007
20 S A -1.0992
21 I A 0.0000
22 S A -1.6528
23 P A -1.8304
24 G A -1.3909
25 E A -1.6077
26 K A -2.2684
27 I A 0.0000
28 V A -1.4506
29 F A 0.0000
30 K A -1.5785
31 N A 0.0000
32 N A -1.3767
33 A A -1.2212
34 G A -0.8347
35 F A -0.2491
36 P A -0.5533
37 H A 0.0000
38 N A 0.0000
39 I A 0.0000
40 V A 0.0000
41 F A 0.0000
42 D A -2.1095
43 E A -3.2137
44 D A -2.9187
45 S A -2.1443
46 I A -2.1146
47 P A -1.7644
48 S A -1.2780
49 G A -0.8426
50 V A -1.3350
51 D A -2.0600
52 A A -2.0724
53 S A -1.6387
54 K A -2.1066
55 I A 0.0000
56 S A -1.4869
57 M A -1.1280
58 S A -1.8654
59 E A -2.9623
60 E A -3.1127
61 D A -2.3523
62 L A -0.8328
63 L A 0.0000
64 N A -1.5835
65 A A -1.6439
66 K A -2.4705
67 G A -1.9093
68 E A -1.7086
69 T A -1.4316
70 F A -0.8694
71 E A -2.0895
72 V A 0.0000
73 A A -1.6653
74 L A 0.0000
75 S A -1.8253
76 N A -2.6974
77 K A -3.2238
78 G A -2.3817
79 E A -2.5419
80 Y A 0.0000
81 S A -1.4997
82 F A 0.0000
83 Y A -0.3469
84 C A 0.0000
85 S A -1.1888
86 P A -0.9107
87 H A -0.6236
88 Q A -1.0262
89 G A -0.9647
90 A A -0.5399
91 G A -0.5345
92 M A 0.0000
93 V A 0.0651
94 G A 0.0000
95 K A -1.7082
96 V A 0.0000
97 T A -2.0619
98 V A 0.0000
99 N A -2.3817

 

Laboratory of Theory of Biopolymers 2015