Project name: SH3_Y93I

Status: done

submitted: 2019-03-14 18:58:52, status changed: 2019-03-14 19:40:20
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93I
Energy difference between WT (input) and mutated protein (by FoldX) 7.30487 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
-3.1555
Maximal score value
1.7964
Average score
-1.0156
Total score value
-57.8912

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
85 T A 0.5173
86 L A 0.7932
87 F A 0.9303
88 V A 0.4409
89 A A 0.0000
90 L A -0.1098
91 Y A -0.5271
92 D A -2.4926
93 I A -1.8263 mutated: YA93I
94 E A -2.6128
95 A A -2.6582
96 R A -3.0134
97 T A -2.7102
98 E A -3.1555
99 D A -3.1311
100 D A -2.2403
101 L A 0.0000
102 S A -2.2084
103 F A 0.0000
104 H A -2.6973
105 K A -2.3756
106 G A -1.4561
107 E A -1.3083
108 K A -0.6425
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0574
112 L A 0.1425
113 N A -0.8975
114 S A -1.1934
115 S A -1.6044
116 E A -2.5721
117 G A -2.1554
118 D A -2.4826
119 W A -1.1982
120 W A -1.1161
121 E A -1.1985
122 A A 0.0000
123 R A -1.7161
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.7190
131 G A -1.5702
132 Y A -0.9723
133 I A 0.0000
134 P A -0.6029
135 S A -0.9397
136 N A -1.1441
137 Y A -0.0683
138 V A 0.0000
139 A A 0.4285
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015