Project name: knob and hole [mutate: AB28F]

Status: done

submitted: 2019-04-03 03:58:01, status changed: 2019-04-03 04:11:23
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Chain sequence(s) A: GQPREPQVYTLPPCQEEMTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS
B: GQPREPQVYTLPPCQEEMTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues AB28F
Energy difference between WT (input) and mutated protein (by FoldX) 6.20515 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
1.5712
Average score
-0.393
Total score value
-81.7341

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 -1.2942
3 P A -0.4980
4 R A -1.7586
5 E A -2.0861
6 P A 0.0000
7 Q A -0.5718
8 V A 0.0000
9 Y A 0.0000
10 T A 0.0000
11 L A 0.0000
12 P A -0.1253
13 P A -0.0423
14 C A -0.1368
15 Q A -1.5129
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 -1.7001
22 Q A -0.9998
23 V A 0.0000
24 S A 0.0000
25 L A 0.0000
26 W A 0.0000
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 0.1964
34 P A 0.0027
35 S A -0.4196
36 D A -1.7360
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 -0.4214
43 S A 0.0000
44 N A -1.3569
45 G A -0.9146
46 Q A -1.3289
47 P A -0.5579
48 E A -0.5054
49 N A -1.4162
50 N A -0.7396
51 Y A 0.0815
52 K A -0.3519
53 T A -0.0945
54 T A 0.0000
55 P A -0.1716
56 P A -0.0746
57 V A 0.4149
58 L A 1.1910
59 D A -0.1669
60 S A -0.6004
61 D A -1.8933
62 G A -0.6879
63 S A -0.0462
64 F A 0.3687
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 -0.0087
72 V A 0.0000
73 D A -1.0636
74 K A -0.7273
75 S A -0.3855
76 R A -0.4654
77 W A 0.0000
78 Q A -1.5245
79 E A -2.0653
80 G A -0.5401
81 N A 0.0211
82 V A 1.4585
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 0.3849
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 -1.2824
96 Y A 0.4267
97 T A -0.0712
98 Q A -0.9390
99 K A -0.5475
100 S A -0.2353
101 L A 0.1276
102 S A 0.1788
103 L A 0.3787
104 S A -0.1321
1 G B -0.6887
2 Q B -1.3016
3 P B -0.3656
4 R B -0.8166
5 E B -1.9110
6 P B 0.0000
7 Q B -0.4994
8 V B 0.0000
9 Y B 0.0000
10 T B 0.0000
11 L B 0.0000
12 P B -0.1341
13 P B -0.0397
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 -1.7160
22 Q B -1.0606
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 F B 0.0000 mutated: AB28F
29 V B 0.0000
30 K B -0.3094
31 G B -0.1070
32 F B 0.0000
33 Y B 0.2463
34 P B 0.0078
35 S B -0.4032
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 -0.5360
43 S B -0.3337
44 N B -1.3605
45 G B -0.9133
46 Q B -1.3294
47 P B -0.6154
48 E B -0.7361
49 N B -1.5785
50 N B -1.4517
51 Y B -0.1059
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 1.5712
59 D B -0.0030
60 S B -0.5859
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 0.0205
72 V B 0.0633
73 D B -0.7147
74 K B -0.5836
75 S B -0.6264
76 R B -1.8826
77 W B 0.0000
78 Q B -1.5649
79 E B -2.0941
80 G B -0.7931
81 N B -0.0265
82 V B 1.2869
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 0.4937
89 H B 0.0000
90 E B -1.8183
91 A B -0.4942
92 L B -0.1371
93 H B -1.1891
94 N B -1.6280
95 H B -1.0948
96 Y B 0.4304
97 T B -0.0652
98 Q B -0.9649
99 K B -0.7842
100 S B -0.2928
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