Project name: 1shg_MZ [mutate: VA23A] [mutate: AA23E]

Status: done

submitted: 2018-01-12 16:08:48, status changed: 2018-01-12 16:11:22
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Chain sequence(s) A: KELVLALYDYQEKSPREATMKKGDILTLLNSTNKDWWKVEVNDRQGFVPAAYVKKLD
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues AA23E
Energy difference between WT (input) and mutated protein (by FoldX) 3.99888 kcal/mol
Show buried residues

Minimal score value
-3.3923
Maximal score value
0.9405
Average score
-1.2532
Total score value
-71.4348

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
6 K A -2.1871
7 E A -2.0775
8 L A -0.4259
9 V A 0.0000
10 L A 0.1720
11 A A 0.0000
12 L A -0.2699
13 Y A -0.7411
14 D A -2.5720
15 Y A 0.0000
16 Q A -2.3426
17 E A -2.2271
18 K A -2.5029
19 S A -1.6494
20 P A -1.2968
21 R A -1.8173
22 E A 0.0000
23 E A 0.0000 mutated: AA23E
24 T A -1.8056
25 M A 0.0000
26 K A -3.0200
27 K A -2.5317
28 G A -1.3531
29 D A -0.9490
30 I A 0.9405
31 L A 0.0000
32 T A -0.7377
33 L A 0.0000
34 L A -0.8263
35 N A -1.0973
36 S A -1.4293
37 T A -1.5867
38 N A -2.8396
39 K A -3.1616
40 D A -2.8142
41 W A -1.5173
42 W A -1.0445
43 K A -1.1176
44 V A 0.0000
45 E A -1.9094
46 V A -2.0922
47 N A -2.5722
48 D A -3.3923
49 R A -3.2160
50 Q A -2.7573
51 G A 0.0000
52 F A -0.7769
53 V A 0.0000
54 P A -0.5891
55 A A -1.2539
56 A A -0.3120
57 Y A 0.1343
58 V A 0.0000
59 K A -1.2673
60 K A -1.5736
61 L A -0.8038
62 D A -2.2245

 

Laboratory of Theory of Biopolymers 2015