Project name: 8f047139587eaf1 [mutate: FB19D, WB23D]

Status: done

submitted: 2018-04-17 07:14:35, status changed: 2018-04-17 17:23:13
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Chain sequence(s) B: LSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FB19D, WB23D
Energy difference between WT (input) and mutated protein (by FoldX) 0.654785 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
-3.3639
Maximal score value
1.8919
Average score
-0.9431
Total score value
-44.3263

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
14 L B 0.8202
15 S B -0.6768
16 Q B -2.2372
17 E B -2.8039
18 T B -2.5808
19 D B -3.3450 mutated: FB19D
20 S B -2.6825
21 D B -3.0214
22 L B -1.1147
23 D B -1.8825 mutated: WB23D
24 K B -1.9755
25 L B 0.5867
26 L B 0.5367
27 P B -0.5542
28 E B -1.9145
29 N B -1.7346
30 N B -1.3614
31 V B 0.8476
32 L B 1.5765
33 S B 0.7897
34 P B 1.0768
35 L B 1.8919
36 P B 0.3060
37 S B -0.2263
38 Q B -1.1445
39 A B -0.5694
40 M B 0.3266
41 D B -1.2005
42 D B -0.5692
43 L B 0.9048
44 M B 1.4231
45 L B 0.3833
46 S B -0.9099
47 P B -2.1586
48 D B -3.3639
49 D B -3.0110
50 I B 0.0000
51 E B -2.8148
52 Q B -2.2713
53 W B 0.0556
54 F B 0.7776
55 T B -0.9023
56 E B -2.6758
57 D B -2.9949
58 P B -1.7268
59 G B -1.3968
60 P B -0.8084

 

Laboratory of Theory of Biopolymers 2015