Project name: d7dd3268ca7009c [mutate: VA73F]

Status: done

submitted: 2021-09-19 16:17:54, status changed: 2021-09-19 16:23:29
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Chain sequence(s) A: MQFKVYTYKRESRYRLFVDVQSDIIDTPGRRMVIPLASARLLSDKVSRELYPVVHIGDESWRMMTTDMASVPVSVIGEEVADLSHRENDIKNAINLMFWGI
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA73F
Energy difference between WT (input) and mutated protein (by FoldX) -0.616653 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
-3.5233
Maximal score value
2.7725
Average score
-0.7921
Total score value
-80.0028

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 0.3050
2 Q A -0.3460
3 F A -0.7591
4 K A -0.5488
5 V A 0.0000
6 Y A 0.0000
7 T A -1.7696
8 Y A -2.6252
9 K A -2.9618
10 R A -3.2588
11 E A -3.5233
12 S A -2.7912
13 R A -2.5584
14 Y A -1.9117
15 R A -2.8293
16 L A 0.0000
17 F A 0.0000
18 V A 0.0000
19 D A 0.0000
20 V A -0.1829
21 Q A -0.0371
22 S A 0.1152
23 D A -0.4867
24 I A 1.5099
25 I A 1.1087
26 D A -1.1393
27 T A -1.0763
28 P A -0.9226
29 G A -0.8324
30 R A -1.1465
31 R A -0.4607
32 M A 0.0891
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 -0.5362
39 A A -0.7546
40 R A -1.3024
41 L A 0.7191
42 L A 0.2201
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 -1.2945
51 Y A -0.9076
52 P A 0.0000
53 V A -0.6193
54 V A 0.0000
55 H A -1.7014
56 I A -1.3520
57 G A -1.6565
58 D A -2.7226
59 E A -2.6604
60 S A -1.6835
61 W A -0.7818
62 R A 0.0000
63 M A 0.0000
64 M A 0.0725
65 T A 0.0000
66 T A -0.0210
67 D A -0.7712
68 M A -0.0833
69 A A -0.0485
70 S A 0.0062
71 V A 0.0000
72 P A 0.1943
73 F A 1.1021 mutated: VA73F
74 S A 0.1403
75 V A -0.7480
76 I A -0.6314
77 G A -1.6492
78 E A -2.6412
79 E A -2.2691
80 V A -0.6187
81 A A -0.8967
82 D A -1.3520
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 -2.4274
92 N A -2.7051
93 A A 0.0000
94 I A -0.0824
95 N A 0.2360
96 L A 1.0716
97 M A 1.5209
98 F A 2.7725
99 W A 2.5271
100 G A 1.9186
101 I A 2.4459

 

Laboratory of Theory of Biopolymers 2015