Project name: SH3_S94V

Status: done

submitted: 2019-03-14 15:16:01, status changed: 2019-03-14 16:10:48
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA94V
Energy difference between WT (input) and mutated protein (by FoldX) 1.86871 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
-3.4786
Maximal score value
1.2561
Average score
-0.9125
Total score value
-54.7482

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 -0.1027
87 V A -0.6215
88 A A 0.0000
89 L A -0.3119
90 Y A -0.7380
91 D A -2.8460
92 Y A -2.0359
93 E A -2.7654
94 V A -1.9473 mutated: SA94V
95 R A -2.6740
96 T A -2.0745
97 E A -2.3037
98 T A -1.1864
99 D A -1.2068
100 L A 0.0000
101 S A -1.7999
102 F A 0.0000
103 K A -3.4786
104 K A -2.8614
105 G A -1.9631
106 E A 0.0000
107 R A -2.0707
108 L A 0.0000
109 Q A -0.2441
110 I A 0.4419
111 V A 1.2561
112 N A -0.4067
113 N A -1.8063
114 T A -1.7276
115 E A -2.9308
116 G A -2.6038
117 D A -2.6785
118 W A -1.3225
119 W A -0.6835
120 L A 0.4188
121 A A 0.0000
122 H A -0.3819
123 S A 0.0000
124 L A -0.2789
125 T A -0.7803
126 T A -0.8759
127 G A -0.8169
128 Q A -1.4037
129 T A -0.4837
130 G A 0.0000
131 Y A 0.2695
132 I A 0.0000
133 P A 0.0000
134 S A -1.2798
135 N A -1.2442
136 Y A -0.1959
137 V A 0.0000
138 A A -0.0199
139 P A -0.1501
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015