Project name: knob and hole [mutate: WA26D]

Status: done

submitted: 2019-04-03 02:10:11, status changed: 2019-04-03 02:24:46
Settings
Chain sequence(s) A: GQPREPQVYTLPPCQEEMTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS
B: GQPREPQVYTLPPCQEEMTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues WA26D
Energy difference between WT (input) and mutated protein (by FoldX) 4.96343 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
-2.0941
Maximal score value
1.5565
Average score
-0.3942
Total score value
-82.0004

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 -0.6876
2 Q A -1.2962
3 P A -0.5094
4 R A -1.7607
5 E A -2.0861
6 P A 0.0000
7 Q A -0.5659
8 V A 0.0000
9 Y A 0.0000
10 T A 0.0000
11 L A 0.0000
12 P A -0.1147
13 P A -0.0410
14 C A -0.1382
15 Q A -1.5132
16 E A -2.0375
17 E A 0.0000
18 M A 0.2373
19 T A -0.3349
20 K A -1.9428
21 N A -1.7058
22 Q A -1.0314
23 V A 0.0000
24 S A -0.0220
25 L A 0.0000
26 D A 0.0000 mutated: WA26D
27 C A 0.0000
28 L A 0.0000
29 V A 0.0000
30 K A -0.2205
31 G A -0.1550
32 F A 0.0000
33 Y A 0.1965
34 P A 0.0073
35 S A -0.4195
36 D A -1.7362
37 I A 0.0481
38 A A 0.0957
39 V A 0.0000
40 E A -1.1094
41 W A 0.0000
42 E A -0.4174
43 S A 0.0000
44 N A -1.3569
45 G A -0.9146
46 Q A -1.3289
47 P A -0.5574
48 E A -0.5054
49 N A -1.4168
50 N A -0.7422
51 Y A 0.0826
52 K A -0.3496
53 T A -0.0941
54 T A 0.0000
55 P A -0.1716
56 P A -0.0746
57 V A 0.4149
58 L A 1.1918
59 D A -0.1616
60 S A -0.5994
61 D A -1.8933
62 G A -0.6879
63 S A -0.0463
64 F A 0.3675
65 F A 0.0000
66 L A 0.0000
67 Y A 0.0000
68 S A 0.0000
69 R A 0.0000
70 L A 0.0000
71 T A -0.0141
72 V A 0.0000
73 D A -1.0675
74 K A -0.7273
75 S A -0.3859
76 R A -0.4676
77 W A 0.0000
78 Q A -1.5245
79 E A -2.0656
80 G A -0.5435
81 N A 0.0124
82 V A 1.4570
83 F A 0.0000
84 S A 0.0000
85 C A 0.0000
86 S A 0.0000
87 V A 0.0000
88 M A 0.3845
89 H A 0.0000
90 E A -1.9200
91 A A -0.4792
92 L A -0.1252
93 H A -1.1882
94 N A -1.6291
95 H A -1.2829
96 Y A 0.4237
97 T A -0.0652
98 Q A -0.9034
99 K A -0.5417
100 S A -0.2396
101 L A 0.1268
102 S A 0.1788
103 L A 0.3787
104 S A -0.1321
1 G B -0.6887
2 Q B -1.3038
3 P B -0.3781
4 R B -0.8189
5 E B -1.9110
6 P B 0.0000
7 Q B -0.5073
8 V B 0.0000
9 Y B 0.0000
10 T B 0.0000
11 L B 0.0000
12 P B -0.1233
13 P B -0.0378
14 C B -0.1390
15 Q B -1.4237
16 E B -1.5492
17 E B 0.0000
18 M B 0.1999
19 T B -0.3370
20 K B -1.9406
21 N B -1.7111
22 Q B -1.1567
23 V B 0.0000
24 S B 0.0000
25 L B 0.0000
26 S B 0.0000
27 C B 0.0000
28 A B 0.0000
29 V B 0.0000
30 K B -0.4271
31 G B -0.1234
32 F B 0.0000
33 Y B 0.2468
34 P B 0.0146
35 S B -0.4020
36 D B -1.7329
37 I B 0.0459
38 A B 0.1381
39 V B 0.0000
40 E B -1.1810
41 W B 0.0000
42 E B -0.5186
43 S B -0.3385
44 N B -1.3613
45 G B -0.9133
46 Q B -1.3294
47 P B -0.5831
48 E B -0.5600
49 N B -1.5032
50 N B -1.2122
51 Y B -0.0617
52 K B -0.7795
53 T B -0.1721
54 T B 0.0000
55 P B -0.1765
56 P B -0.0880
57 V B 0.4805
58 L B 1.5565
59 D B -0.0833
60 S B -0.6005
61 D B -1.8989
62 G B -0.7130
63 S B 0.0000
64 F B 0.4285
65 F B 0.0000
66 L B 0.0000
67 V B 0.0000
68 S B 0.0000
69 R B 0.0000
70 L B 0.0000
71 T B -0.0109
72 V B 0.0000
73 D B -1.8027
74 K B -0.7748
75 S B -0.5184
76 R B -1.2861
77 W B 0.0000
78 Q B -1.5649
79 E B -2.0941
80 G B -0.7891
81 N B -0.0048
82 V B 1.2909
83 F B 0.0000
84 S B 0.0000
85 C B 0.0000
86 S B 0.0000
87 V B 0.0000
88 M B 0.4901
89 H B 0.0000
90 E B -1.6815
91 A B -0.4691
92 L B -0.1371
93 H B -1.1891
94 N B -1.6280
95 H B -1.1001
96 Y B 0.4016
97 T B -0.0527
98 Q B -0.8742
99 K B -0.8368
100 S B -0.3042
101 L B 0.0000
102 S B 0.2102
103 L B 0.8862
104 S B -0.0409

 

Laboratory of Theory of Biopolymers 2015