Project name: 2JV1_mut_10 [mutate: NA21G]

Status: done

submitted: 2018-08-05 11:02:49, status changed: 2018-08-05 11:06:44
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Chain sequence(s) A: GIVEQCCTSICSLYQLENYCN
B: FVNQHLCGSHLVEALYLVCGERGFFYTPKT
Distance of aggregation 10 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
-2.6385
Maximal score value
2.9882
Average score
-0.3128
Total score value
-15.9549

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 -1.1066
2 I A 0.0000
3 V A -0.9072
4 E A -2.1114
5 Q A -1.5438
6 C A 0.0000
7 C A -0.9286
8 T A -0.7241
9 S A -0.5260
10 I A -0.2899
11 C A 0.0000
12 S A 0.4112
13 L A 1.1724
14 Y A 1.1351
15 Q A -0.7333
16 L A 0.0000
17 E A -1.4857
18 N A -1.4303
19 Y A 0.1296
20 C A -0.4929
21 G A -0.7869 mutated: NA21G
1 F B 2.9882
2 V B 2.2401
3 N B -0.1459
4 Q B -1.3543
5 H B -1.6447
6 L B 0.0000
7 C B -0.8013
8 G B -0.6840
9 S B -1.0868
10 H B -1.5839
11 L B 0.0000
12 V B 0.2840
13 E B -1.2444
14 A B -0.0478
15 L B 0.0000
16 Y B 0.4770
17 L B 1.1456
18 V B 0.3919
19 C B 0.0000
20 G B -0.8057
21 E B -2.3787
22 R B -2.6385
23 G B -0.5940
24 F B 0.9583
25 F B 2.5962
26 Y B 1.6993
27 T B 0.1448
28 P B -0.7755
29 K B -1.8206
30 T B -1.0558

 

Laboratory of Theory of Biopolymers 2015