Project name: SH3_G128Q

Status: done

submitted: 2019-03-14 19:19:43, status changed: 2019-03-14 22:22:07
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128Q
Energy difference between WT (input) and mutated protein (by FoldX) 3.31461 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
-3.1028
Maximal score value
1.7964
Average score
-0.9913
Total score value
-56.5058

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 0.5187
86 L A 0.8225
87 F A 0.9261
88 V A 0.4328
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6452
95 A A -2.6259
96 R A -2.9852
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2059
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3046
108 K A -0.5996
109 F A 0.0000
110 Q A -0.5181
111 I A 0.0045
112 L A 0.1874
113 N A -0.8910
114 S A -1.1812
115 S A -1.5972
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0295
121 E A -1.1026
122 A A 0.0000
123 R A -1.7322
124 S A 0.0000
125 L A -0.1356
126 T A -0.6655
127 T A -1.1974
128 Q A -2.1596 mutated: GA128Q
129 E A -2.5867
130 T A -1.8039
131 G A -1.5333
132 Y A -0.8333
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4158
140 P A 0.7764
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015