Project name: SH3_E93V

Status: done

submitted: 2019-03-14 15:15:10, status changed: 2019-03-14 16:05:58
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA93V
Energy difference between WT (input) and mutated protein (by FoldX) 0.357432 kcal/mol

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
-2.9534
Maximal score value
1.2558
Average score
-0.7413
Total score value
-44.4777

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 -0.4506
82 S A -0.6820
83 H A -0.7908
84 M A 0.2676
85 T A 0.0000
86 F A -0.1034
87 V A -0.6218
88 A A 0.0000
89 L A -0.3154
90 Y A -0.7430
91 D A -2.0698
92 Y A -0.3950
93 V A 0.6716 mutated: EA93V
94 S A -0.4577
95 R A -1.9628
96 T A -1.7268
97 E A -2.3569
98 T A -1.2505
99 D A -0.8213
100 L A 0.0000
101 S A -0.5217
102 F A 0.0000
103 K A -2.9534
104 K A -2.8658
105 G A -1.9621
106 E A 0.0000
107 R A -2.0707
108 L A 0.0000
109 Q A -0.2441
110 I A 0.4416
111 V A 1.2558
112 N A -0.4087
113 N A -1.8092
114 T A -1.7294
115 E A -2.9343
116 G A -2.6073
117 D A -2.6850
118 W A -1.3424
119 W A -0.6960
120 L A 0.4072
121 A A 0.0000
122 H A -0.3823
123 S A 0.0000
124 L A -0.2789
125 T A -0.7803
126 T A -0.8826
127 G A -0.8169
128 Q A -1.4187
129 T A -0.5017
130 G A 0.0000
131 Y A 0.2077
132 I A 0.0000
133 P A 0.0000
134 S A -1.2863
135 N A -1.2485
136 Y A -0.2079
137 V A 0.0000
138 A A -0.0212
139 P A -0.1501
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015