Project name: SH3_Y92M

Status: done

submitted: 2019-03-14 15:14:07, status changed: 2019-03-14 15:59:07
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92M
Energy difference between WT (input) and mutated protein (by FoldX) 1.66073 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
-3.5159
Maximal score value
1.2498
Average score
-0.9503
Total score value
-57.0189

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 -0.1004
87 V A -0.6176
88 A A 0.0000
89 L A -0.3173
90 Y A -0.7624
91 D A -2.9090
92 M A -2.2389 mutated: YA92M
93 E A -2.9615
94 S A -2.2413
95 R A -2.8198
96 T A -2.1822
97 E A -2.3762
98 T A -1.2780
99 D A -1.4096
100 L A 0.0000
101 S A -1.9663
102 F A 0.0000
103 K A -3.5159
104 K A -2.8788
105 G A -1.9631
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4372
111 V A 1.2498
112 N A -0.4135
113 N A -1.8045
114 T A -1.7260
115 E A -2.9229
116 G A -2.5981
117 D A -2.6678
118 W A -1.3080
119 W A -0.6880
120 L A 0.4015
121 A A 0.0000
122 H A -0.3840
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4189
129 T A -0.5071
130 G A 0.0000
131 Y A 0.1957
132 I A 0.0000
133 P A -0.5582
134 S A -1.2708
135 N A -1.2327
136 Y A -0.1908
137 V A 0.0000
138 A A -0.0138
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015