Project name: knob and hole [mutate: VB67R]

Status: done

submitted: 2019-04-03 04:44:23, status changed: 2019-04-03 04:56:03
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Chain sequence(s) A: GQPREPQVYTLPPCQEEMTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS
B: GQPREPQVYTLPPCQEEMTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLS
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues VB67R
Energy difference between WT (input) and mutated protein (by FoldX) 6.46777 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
1.5739
Average score
-0.3928
Total score value
-81.6983

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 -0.5718
8 V A 0.0000
9 Y A 0.0000
10 T A 0.0000
11 L A 0.0000
12 P A -0.1194
13 P A -0.0416
14 C A -0.1360
15 Q A -1.5128
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 -1.6976
22 Q A -0.9862
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 -0.2215
31 G A -0.1552
32 F A 0.0000
33 Y A 0.1972
34 P A 0.0100
35 S A -0.4183
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 -0.4174
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 1.1894
59 D A -0.1760
60 S A -0.6020
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 -0.0100
72 V A 0.0000
73 D A -1.0619
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 -0.1288
13 P B -0.0384
14 C B -0.1389
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 -1.7153
22 Q B -1.1820
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 -0.2678
31 G B -0.1085
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 -0.5188
43 S B -0.3369
44 N B -1.3610
45 G B -0.9133
46 Q B -1.3294
47 P B -0.5840
48 E B -0.5649
49 N B -1.5051
50 N B -1.2174
51 Y B -0.0645
52 K B -0.7966
53 T B -0.1753
54 T B 0.0000
55 P B -0.1765
56 P B -0.0880
57 V B 0.4805
58 L B 1.5739
59 D B 0.0120
60 S B -0.5832
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 R B 0.0000 mutated: VB67R
68 S B 0.0000
69 R B 0.0000
70 L B 0.0000
71 T B -0.0110
72 V B 0.0000
73 D B -1.8226
74 K B -0.7779
75 S B -0.5138
76 R B -1.2604
77 W B 0.0000
78 Q B -1.5649
79 E B -2.0941
80 G B -0.7893
81 N B -0.0058
82 V B 1.2907
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 -0.4692
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