Project name: SH3_Y92H

Status: done

submitted: 2019-03-14 15:13:58, status changed: 2019-03-14 15:58:58
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92H
Energy difference between WT (input) and mutated protein (by FoldX) 2.34048 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
-3.5846
Maximal score value
1.2498
Average score
-0.958
Total score value
-57.4805

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 -0.1020
87 V A -0.6190
88 A A 0.0000
89 L A -0.3508
90 Y A -0.8290
91 D A -3.0435
92 H A -2.5124 mutated: YA92H
93 E A -3.0949
94 S A -2.3042
95 R A -2.8455
96 T A -2.1786
97 E A -2.3730
98 T A -1.2728
99 D A -1.4291
100 L A 0.0000
101 S A -2.0522
102 F A 0.0000
103 K A -3.5846
104 K A -2.9236
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 0.4372
111 V A 1.2498
112 N A -0.4163
113 N A -1.8086
114 T A -1.7289
115 E A -2.9286
116 G A -2.6006
117 D A -2.6708
118 W A -1.3192
119 W A -0.6907
120 L A 0.4018
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 -1.4179
129 T A -0.5053
130 G A 0.0000
131 Y A 0.2000
132 I A 0.0000
133 P A 0.0000
134 S A -1.2696
135 N A -1.2340
136 Y A -0.2411
137 V A 0.0000
138 A A -0.0167
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015