Project name: SH3_L125W

Status: done

submitted: 2019-03-14 19:17:46, status changed: 2019-03-14 22:08:24
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA125W
Energy difference between WT (input) and mutated protein (by FoldX) 1.35078 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
1.7328
Average score
-0.958
Total score value
-54.6077

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 0.4239
86 L A 0.6220
87 F A 0.8613
88 V A 0.4242
89 A A 0.0000
90 L A -0.1450
91 Y A -0.5750
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 -2.7207
105 K A -2.3975
106 G A -1.4425
107 E A -1.2628
108 K A -0.5901
109 F A 0.0000
110 Q A -0.4534
111 I A -0.0441
112 L A 0.1728
113 N A -0.8751
114 S A -1.1789
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 -1.0431
121 E A -1.1355
122 A A 0.0000
123 R A -1.6641
124 S A 0.0000
125 W A 0.1478 mutated: LA125W
126 T A -0.4214
127 T A -0.7913
128 G A -1.3195
129 E A -2.2245
130 T A -1.6662
131 G A -1.4961
132 Y A -0.8654
133 I A 0.0000
134 P A 0.0000
135 S A -0.9203
136 N A -1.1504
137 Y A -0.1246
138 V A 0.0000
139 A A 0.3871
140 P A 0.7258
141 V A 1.7328

 

Laboratory of Theory of Biopolymers 2015