Project name: 2JV1_mut_5 [mutate: NA21G]

Status: done

submitted: 2018-08-05 11:01:35, status changed: 2018-08-05 11:06:44
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Chain sequence(s) A: GIVEQCCTSICSLYQLENYCN
B: FVNQHLCGSHLVEALYLVCGERGFFYTPKT
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues NA21G
Energy difference between WT (input) and mutated protein (by FoldX) -0.626404 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
-2.1874
Maximal score value
2.2529
Average score
-0.1255
Total score value
-6.4025

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 G A -0.1925
2 I A 0.0000
3 V A -0.0377
4 E A -1.6628
5 Q A -1.1213
6 C A 0.0000
7 C A 0.1791
8 T A -0.0620
9 S A 0.0160
10 I A 1.0834
11 C A 0.0000
12 S A -0.1193
13 L A 0.8285
14 Y A 1.3489
15 Q A -0.1737
16 L A 0.0000
17 E A -2.0458
18 N A -1.5531
19 Y A 0.0411
20 C A 0.2223
21 G A -0.3565 mutated: NA21G
1 F B 2.2529
2 V B 1.9024
3 N B -1.0841
4 Q B -1.5918
5 H B -1.0869
6 L B 0.0000
7 C B 0.3368
8 G B -0.4321
9 S B -0.4752
10 H B -1.2110
11 L B 0.0000
12 V B 0.3371
13 E B -1.7999
14 A B -0.3205
15 L B 0.0000
16 Y B 0.9537
17 L B 1.7148
18 V B 0.5367
19 C B 0.0000
20 G B -0.4957
21 E B -2.1760
22 R B -2.1874
23 G B -0.3128
24 F B 1.0498
25 F B 2.1951
26 Y B 1.0036
27 T B 0.0352
28 P B -0.3938
29 K B -1.2844
30 T B -0.2636

 

Laboratory of Theory of Biopolymers 2015