Project name: WT_mutant [mutate: DA76R]

Status: done

submitted: 2020-04-06 09:30:50, status changed: 2020-04-07 00:54:31
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Chain sequence(s) A: IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA76R
Energy difference between WT (input) and mutated protein (by FoldX) 1.42209 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
-4.6831
Maximal score value
1.3706
Average score
-1.2092
Total score value
-119.7073

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 1.2374
2 Q A -0.4651
3 R A -1.1111
4 T A -0.9418
5 P A 0.0000
6 K A -1.9655
7 I A 0.0000
8 Q A -1.3948
9 V A 0.0000
10 Y A -1.2134
11 S A -1.7575
12 R A -2.5223
13 H A -3.0297
14 P A -2.1382
15 A A -1.9051
16 E A -2.5307
17 N A -2.3571
18 G A -2.6198
19 K A -2.5840
20 S A -2.3890
21 N A -2.1653
22 F A -1.4350
23 L A 0.0000
24 N A 0.0000
25 C A 0.0000
26 Y A 0.0475
27 V A 0.0000
28 S A -0.1707
29 G A -0.5355
30 F A 0.0000
31 H A -0.4244
32 P A -0.4049
33 S A -0.5114
34 D A -1.5832
35 I A -0.7458
36 E A -1.1879
37 V A -0.6073
38 D A 0.0000
39 L A 0.0000
40 L A 0.0000
41 K A -3.3898
42 N A -3.5572
43 G A -2.9026
44 E A -3.8718
45 R A -3.7906
46 I A -2.7476
47 E A -3.3810
48 K A -3.3043
49 V A -2.1990
50 E A -2.7849
51 H A -1.7813
52 S A -0.9684
53 D A -1.0808
54 L A 0.8753
55 S A 0.7881
56 F A 1.3706
57 S A -0.4110
58 K A -1.9890
59 D A -1.9749
60 W A -0.6304
61 S A 0.0000
62 F A 0.5706
63 Y A 1.0243
64 L A 0.0000
65 L A 0.2273
66 Y A 0.0064
67 Y A -0.9022
68 T A 0.0000
69 E A -2.5824
70 F A 0.0000
71 T A -0.7718
72 P A -1.8590
73 T A -2.3252
74 E A -3.5170
75 K A -3.6589
76 R A -4.0006 mutated: DA76R
77 E A -4.6831
78 Y A 0.0000
79 A A 0.0000
80 C A 0.0000
81 R A -1.1421
82 V A 0.0000
83 N A -0.9547
84 H A 0.0000
85 V A 0.8851
86 T A 0.2222
87 L A -0.1409
88 S A -0.5195
89 Q A -1.3207
90 P A -1.1452
91 K A -1.3429
92 I A -0.5120
93 V A -0.9924
94 K A -2.7761
95 W A 0.0000
96 D A -3.3968
97 R A -3.8452
98 D A -2.5339
99 M A -0.5784

 

Laboratory of Theory of Biopolymers 2015