Project name: SH3_S94N

Status: done

submitted: 2019-03-14 15:15:46, status changed: 2019-03-14 16:08:41
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA94N
Energy difference between WT (input) and mutated protein (by FoldX) 1.18474 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
-3.4928
Maximal score value
1.2501
Average score
-0.9448
Total score value
-56.6873

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
81 G A -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2668
85 T A 0.0000
86 F A -0.1044
87 V A -0.6223
88 A A 0.0000
89 L A -0.3152
90 Y A -0.7425
91 D A -2.8668
92 Y A -2.1896
93 E A -3.0163
94 N A -2.4186 mutated: SA94N
95 R A -2.9036
96 T A -2.2186
97 E A -2.3807
98 T A -1.2509
99 D A -1.3444
100 L A 0.0000
101 S A -2.0018
102 F A 0.0000
103 K A -3.4928
104 K A -2.8654
105 G A -1.9621
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4375
111 V A 1.2501
112 N A -0.4193
113 N A -1.8135
114 T A -1.7325
115 E A -2.9357
116 G A -2.6079
117 D A -2.6831
118 W A -1.3319
119 W A -0.6886
120 L A 0.4164
121 A A 0.0000
122 H A -0.3837
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8796
127 G A -0.8169
128 Q A -1.4077
129 T A -0.4852
130 G A 0.0000
131 Y A 0.2164
132 I A 0.0000
133 P A 0.0000
134 S A -1.2846
135 N A -1.2482
136 Y A -0.2073
137 V A 0.0000
138 A A -0.0212
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015