Project name: SH3_V141E

Status: done

submitted: 2019-03-14 19:26:33, status changed: 2019-03-14 23:13:04
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA141E
Energy difference between WT (input) and mutated protein (by FoldX) 1.21931 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
0.1449
Average score
-1.1357
Total score value
-64.7348

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 -0.2702
86 L A -0.2680
87 F A -0.2634
88 V A -0.5321
89 A A 0.0000
90 L A -0.0964
91 Y A -0.5381
92 D A -2.5238
93 Y A -1.9312
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 -2.6598
105 K A -2.2880
106 G A -1.5774
107 E A -1.1487
108 K A -1.0635
109 F A 0.0000
110 Q A -0.4860
111 I A -0.0438
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 -1.6860
124 S A 0.0000
125 L A 0.1449
126 T A -0.3955
127 T A -0.7928
128 G A -1.3432
129 E A -2.2314
130 T A -1.6891
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 -1.1501
137 Y A -0.1353
138 V A 0.0000
139 A A -0.4915
140 P A -0.9753
141 E A -1.7601 mutated: VA141E

 

Laboratory of Theory of Biopolymers 2015