Project name: PLN_Renee_Maas [mutate: RA14A]

Status: done

submitted: 2018-11-06 11:40:32, status changed: 2018-11-06 11:47:33
Settings
Chain sequence(s) A: MDKVQYLTRSAIRRASTIEMPQQARQNLQNLFINFCLILIFLLLICIIVMLL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA14A
Energy difference between WT (input) and mutated protein (by FoldX) 0.104482 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
-3.2789
Maximal score value
6.2202
Average score
1.5252
Total score value
79.3084

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 -0.0289
2 D A -1.6656
3 K A -1.3123
4 V A 0.3021
5 Q A -0.7811
6 Y A 0.3318
7 L A 0.8941
8 T A 0.0423
9 R A -1.1334
10 S A -0.3808
11 A A 0.3851
12 I A 0.7389
13 R A -1.3005
14 A A -0.3690 mutated: RA14A
15 A A 0.0943
16 S A -0.0393
17 T A -0.1663
18 I A 1.0250
19 E A -0.8147
20 M A -0.8467
21 P A -1.2339
22 Q A -2.4111
23 Q A -2.5139
24 A A -2.0285
25 R A -3.2329
26 Q A -3.2789
27 N A -2.5074
28 L A -0.1390
29 Q A -0.8745
30 N A -0.1029
31 L A 2.5790
32 F A 3.5966
33 I A 3.6596
34 N A 2.3719
35 F A 4.7049
36 C A 4.6247
37 L A 5.1049
38 I A 5.2705
39 L A 5.4551
40 I A 5.8948
41 F A 6.2202
42 L A 5.5594
43 L A 5.2028
44 L A 4.8302
45 I A 4.9470
46 C A 4.8279
47 I A 4.6930
48 I A 5.4406
49 V A 5.0934
50 M A 4.3138
51 L A 4.3356
52 L A 3.9305

 

Laboratory of Theory of Biopolymers 2015