Project name: SH3_Y92A

Status: done

submitted: 2019-03-14 15:13:45, status changed: 2019-03-14 15:57:49
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92A
Energy difference between WT (input) and mutated protein (by FoldX) 3.80901 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
-3.5488
Maximal score value
1.2501
Average score
-0.9586
Total score value
-57.5147

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 -0.0977
87 V A -0.6151
88 A A 0.0000
89 L A -0.3264
90 Y A -0.7950
91 D A -2.9679
92 A A -2.3682 mutated: YA92A
93 E A -3.0374
94 S A -2.3075
95 R A -2.8533
96 T A -2.2108
97 E A -2.4009
98 T A -1.3185
99 D A -1.4995
100 L A 0.0000
101 S A -2.0314
102 F A 0.0000
103 K A -3.5488
104 K A -2.8985
105 G A -1.9647
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4374
111 V A 1.2501
112 N A -0.4038
113 N A -1.7902
114 T A -1.7162
115 E A -2.9037
116 G A -2.5795
117 D A -2.6356
118 W A -1.2474
119 W A -0.6639
120 L A 0.4047
121 A A 0.0000
122 H A -0.3837
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8786
127 G A -0.8169
128 Q A -1.4280
129 T A -0.5216
130 G A 0.0000
131 Y A 0.1797
132 I A 0.0000
133 P A -0.5573
134 S A -1.2452
135 N A -1.2158
136 Y A -0.1840
137 V A 0.0000
138 A A -0.0088
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015