Project name: SH3_Y90V

Status: done

submitted: 2019-03-14 15:12:54, status changed: 2019-03-14 15:53:11
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA90V
Energy difference between WT (input) and mutated protein (by FoldX) 1.12146 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
-3.3973
Maximal score value
1.2558
Average score
-0.8794
Total score value
-52.7625

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 -0.0706
87 V A -0.5262
88 A A 0.0000
89 L A -0.0351
90 V A -0.4249 mutated: YA90V
91 D A -2.7050
92 Y A -2.0288
93 E A -2.8796
94 S A 0.0000
95 R A -2.7833
96 T A -2.1546
97 E A -2.3532
98 T A -1.2427
99 D A -1.3278
100 L A 0.0000
101 S A -1.9029
102 F A 0.0000
103 K A -3.3973
104 K A -2.7023
105 G A -1.8735
106 E A 0.0000
107 R A -2.0616
108 L A 0.0000
109 Q A -0.2408
110 I A 0.4415
111 V A 1.2558
112 N A -0.4087
113 N A -1.8093
114 T A -1.7294
115 E A -2.9344
116 G A -2.6107
117 D A -2.6920
118 W A -1.3508
119 W A -0.7022
120 L A 0.4039
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 -0.8780
127 G A -0.8169
128 Q A -1.4119
129 T A -0.4956
130 G A 0.0000
131 Y A 0.2106
132 I A 0.0000
133 P A -0.5602
134 S A -1.2953
135 N A -1.2019
136 Y A -0.0817
137 V A 0.0000
138 A A 0.0230
139 P A -0.1427
140 S A -0.1681

 

Laboratory of Theory of Biopolymers 2015