Project name: stfBP74S [mutate: PI103S]

Status: done

submitted: 2019-01-30 14:02:18, status changed: 2019-01-30 14:13:43
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Chain sequence(s) I: MMSGAPSATQPATAETQHIADQVRSQLEEKYNKKFPVFKAVSFKSQVVAGTNYFIKVHVGDEDFVHLRVFQSLPHENKPLTLSNYQTNKAKHDELTYF
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PI103S
Energy difference between WT (input) and mutated protein (by FoldX) 2.42337 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
-4.1521
Maximal score value
1.9308
Average score
-0.9339
Total score value
-91.5236

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
6 M I 1.4454
7 M I 1.3562
8 S I 0.5783
9 G I 0.3701
10 A I 0.4694
11 P I 0.4229
12 S I -0.0967
13 A I -0.3051
14 T I -0.7948
15 Q I -0.9750
16 P I -0.5736
17 A I -0.9098
18 T I -0.9318
19 A I -1.1849
20 E I -2.3407
21 T I 0.0000
22 Q I -2.1899
23 H I -2.7375
24 I I -1.7089
25 A I 0.0000
26 D I -3.1801
27 Q I -2.4134
28 V I 0.0000
29 R I -2.2058
30 S I -2.2318
31 Q I -2.0295
32 L I 0.0000
33 E I 0.0000
34 E I -3.7292
35 K I -2.9671
36 Y I -2.2129
37 N I -3.2813
38 K I -3.6109
39 K I -2.9806
40 F I -1.3402
43 P I -0.5823
44 V I -0.1705
45 F I 0.0000
46 K I -1.8610
47 A I 0.0000
48 V I -0.5361
49 S I -0.7296
50 F I -0.1626
51 K I -0.2248
52 S I 0.3701
53 Q I 0.0000
54 V I 1.9308
55 V I 1.6551
56 A I 1.0631
57 G I 0.9633
58 T I 1.1172
59 N I 0.0000
60 Y I 0.4914
61 F I 0.0000
62 I I 0.0000
63 K I 0.0000
64 V I 0.0000
65 H I -1.9644
66 V I 0.0000
67 G I -2.4738
68 D I -3.3476
92 E I -4.1521
93 D I -4.1104
94 F I 0.0000
95 V I 0.0000
96 H I 0.0000
97 L I 0.0000
98 R I -0.1703
99 V I 0.0000
100 F I 0.2823
101 Q I -0.2633
102 S I -0.7578
102A L I -0.1468
103 S I -1.2965 mutated: PI103S
104 H I -2.0037
105 E I -2.7838
105A N I -2.9925
106 K I -2.8338
107 P I -1.6655
108 L I -0.7120
109 T I -0.5271
110 L I 0.0000
111 S I -0.4797
112 N I -0.7466
113 Y I -0.4791
114 Q I -0.7884
115 T I -1.0775
115A N I -2.2006
116 K I -2.6816
117 A I -2.9390
118 K I -3.2045
119 H I -2.6383
120 D I -2.7831
121 E I -2.6547
122 L I 0.0000
123 T I -0.0083
124 Y I 1.2126
125 F I 0.8294

 

Laboratory of Theory of Biopolymers 2015