Project name: 43da875b83572d1 [mutate: RA19H, RC19H, RB19H, RD19H]

Status: done

submitted: 2018-02-20 16:04:16, status changed: 2018-02-20 16:12:50
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Chain sequence(s) A: KKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPG
C: KKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPG
B: KKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPG
D: KKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPG
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA19H, RC19H, RB19H, RD19H
Energy difference between WT (input) and mutated protein (by FoldX) 4.92804 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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
-3.8806
Maximal score value
0.558
Average score
-1.8427
Total score value
-309.5797

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 K A -2.9183
2 K A -2.8865
3 K A -2.2571
4 P A -0.7413
5 L A 0.5580
6 D A -0.1944
7 G A -1.0792
8 E A -1.4312
9 Y A -0.6402
10 F A -0.5963
11 T A -0.4520
12 L A 0.0000
13 Q A -1.5165
14 I A 0.0000
15 R A -1.8997
16 G A -2.5504
17 R A -3.5175
18 E A -3.7849
19 H A -2.6293 mutated: RA19H
20 F A -2.8733
21 E A -3.6120
22 M A -2.4209
23 F A 0.0000
24 R A -3.3788
25 E A -3.2342
26 L A 0.0000
27 N A 0.0000
28 E A -2.8432
29 A A 0.0000
30 L A -2.0582
31 E A -2.2565
32 L A -1.4232
33 K A -2.2553
34 D A -2.3532
35 A A -1.6747
36 Q A -2.3477
37 A A -2.1748
38 G A -2.3782
39 K A -3.4126
40 E A -3.1089
41 P A -1.8381
42 G A -1.3000
1 K B -2.9715
2 K B -2.9605
3 K B -2.4097
4 P B -0.8153
5 L B 0.4301
6 D B -0.3673
7 G B -1.3683
8 E B -2.0114
9 Y B -0.9836
10 F B -0.8915
11 T B -0.5498
12 L B 0.0000
13 Q B -1.5892
14 I B 0.0000
15 R B -2.0564
16 G B -2.7003
17 R B -3.6644
18 E B -3.8806
19 H B -2.6858 mutated: RB19H
20 F B -3.0515
21 E B -3.7107
22 M B -2.4614
23 F B 0.0000
24 R B -3.6196
25 E B -3.1532
26 L B 0.0000
27 N B 0.0000
28 E B -2.8545
29 A B 0.0000
30 L B -2.1111
31 E B -2.2716
32 L B -1.4693
33 K B -2.1977
34 D B -2.2177
35 A B -1.5856
36 Q B -2.1640
37 A B -2.0632
38 G B -2.2941
39 K B -3.3378
40 E B -3.0887
41 P B -1.8381
42 G B -1.3000
1 K C -2.9672
2 K C -2.9544
3 K C -2.3953
4 P C -0.8074
5 L C 0.4619
6 D C -0.3283
7 G C -1.2930
8 E C -1.8535
9 Y C -0.9047
10 F C -0.7206
11 T C -0.4630
12 L C 0.0000
13 Q C -1.4239
14 I C 0.0000
15 R C -1.8088
16 G C 0.0000
17 R C -3.4082
18 E C -3.8002
19 H C -2.7188 mutated: RC19H
20 F C -2.9595
21 E C -3.7376
22 M C -2.5248
23 F C 0.0000
24 R C -3.7207
25 E C -3.3728
26 L C 0.0000
27 N C 0.0000
28 E C -3.0374
29 A C 0.0000
30 L C -2.1806
31 E C -2.2664
32 L C -1.5072
33 K C -2.3194
34 D C -2.5075
35 A C -1.6889
36 Q C -2.2451
37 A C -2.1687
38 G C -2.3857
39 K C -3.3831
40 E C -3.0876
41 P C -1.8382
42 G C -1.3001
1 K D -2.9461
2 K D -2.9251
3 K D -2.3264
4 P D -0.7691
5 L D 0.4230
6 D D -0.3847
7 G D -1.4968
8 E D -2.2682
9 Y D -1.1170
10 F D -0.9514
11 T D -0.5469
12 L D 0.0000
13 Q D -1.5823
14 I D 0.0000
15 R D -2.0211
16 G D -2.6235
17 R D -3.5946
18 E D -3.8415
19 H D -2.6745 mutated: RD19H
20 F D -3.0115
21 E D -3.6874
22 M D -2.4446
23 F D 0.0000
24 R D -3.6006
25 E D -3.2252
26 L D 0.0000
27 N D 0.0000
28 E D -3.0928
29 A D 0.0000
30 L D -2.2258
31 E D -2.3885
32 L D -1.6154
33 K D -2.4191
34 D D -2.5078
35 A D -1.7427
36 Q D -2.3515
37 A D -2.2080
38 G D -2.4022
39 K D -3.4082
40 E D -3.1011
41 P D -1.8382
42 G D -1.3003

 

Laboratory of Theory of Biopolymers 2015