Project name: SH3_V141S

Status: done

submitted: 2019-03-14 19:27:00, status changed: 2019-03-14 23:17:05
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA141S
Energy difference between WT (input) and mutated protein (by FoldX) 1.86618 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
0.3217
Average score
-1.0444
Total score value
-59.5293

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 0.1464
86 L A 0.3217
87 F A 0.3107
88 V A -0.0961
89 A A 0.0000
90 L A -0.1065
91 Y A -0.5322
92 D A -2.5190
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 -2.6704
105 K A -2.2940
106 G A -1.4235
107 E A -1.1969
108 K A -0.9014
109 F A 0.0000
110 Q A -0.4636
111 I A -0.0348
112 L A 0.1378
113 N A -0.8903
114 S A -1.1794
115 S A -1.5962
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0578
121 E A -1.1558
122 A A 0.0000
123 R A -1.6822
124 S A 0.0000
125 L A 0.1704
126 T A -0.3968
127 T A -0.7913
128 G A -1.3242
129 E A -2.2214
130 T A -1.6822
131 G A -1.4991
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1356
138 V A 0.0000
139 A A -0.0737
140 P A -0.1736
141 S A -0.1382 mutated: VA141S

 

Laboratory of Theory of Biopolymers 2015