Project name: SH3_Y92R

Status: done

submitted: 2019-03-14 15:14:22, status changed: 2019-03-14 15:59:22
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92R
Energy difference between WT (input) and mutated protein (by FoldX) 2.8772 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
-3.7395
Maximal score value
1.2504
Average score
-1.0088
Total score value
-60.5274

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 -0.1146
87 V A -0.6329
88 A A 0.0000
89 L A -0.4493
90 Y A -0.9908
91 D A -3.3598
92 R A -3.1693 mutated: YA92R
93 E A -3.4148
94 S A -2.4735
95 R A -2.9190
96 T A -2.1901
97 E A -2.3833
98 T A -1.2894
99 D A -1.5429
100 L A 0.0000
101 S A -2.2662
102 F A 0.0000
103 K A -3.7395
104 K A -3.0326
105 G A -1.9574
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4378
111 V A 1.2504
112 N A -0.4235
113 N A -1.8200
114 T A -1.7372
115 E A -2.9450
116 G A -2.6174
117 D A -2.6994
118 W A -1.3938
119 W A -0.7224
120 L A 0.3850
121 A A 0.0000
122 H A -0.3833
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 -1.4216
129 T A -0.5107
130 G A 0.0000
131 Y A 0.1730
132 I A 0.0000
133 P A 0.0000
134 S A -1.3249
135 N A -1.2945
136 Y A -0.4541
137 V A 0.0000
138 A A -0.0407
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015