Project name: 17dd133325c3e92 [mutate: VA80N]

Status: done

submitted: 2021-09-19 16:18:58, status changed: 2021-09-19 16:23:29
Settings
Chain sequence(s) A: MQFKVYTYKRESRYRLFVDVQSDIIDTPGRRMVIPLASARLLSDKVSRELYPVVHIGDESWRMMTTDMASVPVSVIGEEVADLSHRENDIKNAINLMFWGI
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA80N
Energy difference between WT (input) and mutated protein (by FoldX) 1.80352 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
-3.5233
Maximal score value
2.7739
Average score
-0.8782
Total score value
-88.7017

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 M A 0.3147
2 Q A -0.3492
3 F A -0.7454
4 K A -0.9221
5 V A 0.0000
6 Y A -2.0272
7 T A -2.1502
8 Y A -2.5529
9 K A -2.9568
10 R A -3.2395
11 E A -3.5233
12 S A -2.7912
13 R A -2.5584
14 Y A -1.9118
15 R A -2.8111
16 L A 0.0000
17 F A 0.0000
18 V A 0.0000
19 D A 0.0000
20 V A -0.1872
21 Q A -0.0412
22 S A 0.1120
23 D A -0.4895
24 I A 1.5099
25 I A 1.1057
26 D A -1.1189
27 T A -1.0336
28 P A -0.9049
29 G A -0.8221
30 R A -1.1945
31 R A -0.5240
32 M A 0.0817
33 V A 0.0000
34 I A 0.0000
35 P A 0.0000
36 L A 0.0000
37 A A 0.0000
38 S A -0.5367
39 A A -0.7551
40 R A -1.3026
41 L A 0.7191
42 L A 0.2200
43 S A -1.0406
44 D A -2.6688
45 K A -2.5469
46 V A -1.4464
47 S A -1.8911
48 R A -2.9871
49 E A -2.6885
50 L A -1.2939
51 Y A -0.9078
52 P A 0.0000
53 V A -0.6400
54 V A 0.0000
55 H A -1.8004
56 I A 0.0000
57 G A -2.0831
58 D A -2.7860
59 E A -2.7244
60 S A -1.7342
61 W A -0.8242
62 R A 0.0000
63 M A 0.0000
64 M A 0.0723
65 T A 0.0000
66 T A -0.0210
67 D A -0.7712
68 M A -0.0833
69 A A -0.0524
70 S A -0.0486
71 V A 0.0000
72 P A 0.0537
73 V A 0.7486
74 S A -0.0087
75 V A -0.8118
76 I A -0.6193
77 G A -1.9107
78 E A -3.2176
79 E A -3.3351
80 N A -2.9478 mutated: VA80N
81 A A -2.0510
82 D A -1.8204
83 L A 0.0000
84 S A -1.8162
85 H A -2.1399
86 R A -2.3626
87 E A -3.1288
88 N A -3.1654
89 D A -3.1099
90 I A 0.0000
91 K A -2.4262
92 N A -2.7036
93 A A 0.0000
94 I A -0.0802
95 N A 0.2406
96 L A 1.0738
97 M A 1.5223
98 F A 2.7739
99 W A 2.5284
100 G A 1.9196
101 I A 2.4465

 

Laboratory of Theory of Biopolymers 2015