Project name: some project name

Status: done

submitted: 2017-11-14 15:38:14, status changed: 2017-11-14 15:43:34
Settings
Chain sequence(s) A: IDVLLGADDGSLAFVPSEFSISPGEKIVFKNNAGFPHNIVFDEDSIPSGVDASKISMSEEDLLNAKGETFEVALSNKGEYSFYCSPHQGAGMVGKVTVN
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues IA1W, DA2W
Energy difference between WT (input) and mutated protein (by FoldX) 0.5077 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
-2.3727
Maximal score value
1.353
Average score
-0.4168
Total score value
-41.2635

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 W A 1.3530 mutated: IA1W
2 W A 1.1692 mutated: DA2W
3 V A 0.0000
4 L A 0.2807
5 L A 0.0000
6 G A 0.0000
7 A A -0.3302
8 D A -2.1166
9 D A -2.1879
10 G A -0.7307
11 S A -0.0972
12 L A 0.4778
13 A A 0.1072
14 F A 0.0000
15 V A 0.6116
16 P A 0.0993
17 S A -0.3979
18 E A -1.8716
19 F A -0.1389
20 S A -0.1194
21 I A 0.0000
22 S A -0.1886
23 P A -0.2019
24 G A -0.3850
25 E A -0.9209
26 K A -1.4640
27 I A 0.0000
28 V A 0.2351
29 F A 0.0000
30 K A -0.7812
31 N A 0.0000
32 N A -0.1396
33 A A -0.0842
34 G A -0.2399
35 F A 0.5926
36 P A -0.0650
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 -1.0255
43 E A -2.2783
44 D A -2.1428
45 S A -0.3818
46 I A 0.2068
47 P A -0.0255
48 S A -0.3046
49 G A -0.4429
50 V A 0.0372
51 D A -1.1469
52 A A -0.2561
53 S A -0.5225
54 K A -1.7389
55 I A 0.0000
56 S A -0.0122
57 M A 0.0926
58 S A -0.3909
59 E A -2.1698
60 E A -2.3727
61 D A -1.3553
62 L A 0.6852
63 L A 0.0000
64 N A -1.2760
65 A A -0.5023
66 K A -1.7777
67 G A -0.9240
68 E A -0.8818
69 T A -0.2430
70 F A -0.0346
71 E A -1.7114
72 V A 0.0000
73 A A -0.1552
74 L A 0.0000
75 S A -0.4575
76 N A -1.6266
77 K A -1.9567
78 G A -0.7200
79 E A -1.6143
80 Y A 0.0000
81 S A -0.1488
82 F A 0.0000
83 Y A 0.2993
84 C A 0.0000
85 S A -0.0982
86 P A -0.2523
87 H A -0.3235
88 Q A -0.8887
89 G A -0.5975
90 A A -0.1129
91 G A -0.4556
92 M A 0.0000
93 V A 0.8179
94 G A 0.0000
95 K A -1.0207
96 V A 0.0000
97 T A -0.2493
98 V A 0.0000
99 N A -1.2730

 

Laboratory of Theory of Biopolymers 2015