Project name: AB42 [mutate: HA13A, HA14A, KA16A]

Status: done

submitted: 2018-04-17 03:43:57, status changed: 2018-04-17 17:06:41
Settings
Chain sequence(s) A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues HA13A, HA14A, KA16A
Energy difference between WT (input) and mutated protein (by FoldX) -0.278237 kcal/mol
Show buried residues

Minimal score value
-3.0024
Maximal score value
3.8766
Average score
0.4217
Total score value
17.7094

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 D A -2.6734
2 A A -2.3525
3 E A -2.5368
4 F A -0.9672
5 R A -2.7245
6 H A -3.0024
7 D A -2.3428
8 S A -1.1449
9 G A -0.3479
10 Y A 0.3794
11 E A -0.6682
12 V A 1.1770
13 A A 0.6735 mutated: HA13A
14 A A 0.5967 mutated: HA14A
15 Q A 0.8744
16 A A 1.5236 mutated: KA16A
17 L A 2.3123
18 V A 1.5264
19 F A 2.3509
20 F A 2.3538
21 A A 0.7043
22 E A -1.1749
23 D A -1.5045
24 V A -0.8129
25 G A -1.5906
26 S A -1.6770
27 N A -2.2191
28 K A -2.0655
29 G A -0.3976
30 A A 0.1915
31 I A 2.2919
32 I A 3.1610
33 G A 2.2906
34 L A 3.0360
35 M A 3.4184
36 V A 2.9345
37 G A 1.9898
38 G A 1.8624
39 V A 3.0466
40 V A 3.8766
41 I A 3.4983
42 A A 1.8422

 

Laboratory of Theory of Biopolymers 2015