Project name: SH3_G128W

Status: done

submitted: 2019-03-14 19:19:53, status changed: 2019-03-14 22:27:33
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128W
Energy difference between WT (input) and mutated protein (by FoldX) 4.06503 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
1.795
Average score
-0.8761
Total score value
-49.9357

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 0.5315
86 L A 0.7849
87 F A 0.8876
88 V A 0.3842
89 A A 0.0000
90 L A -0.1516
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 -2.7287
105 K A -2.4065
106 G A -1.4592
107 E A -1.4101
108 K A -0.7445
109 F A 0.0000
110 Q A -0.2794
111 I A 0.0501
112 L A 0.2173
113 N A -0.8813
114 S A -1.1803
115 S A -1.5967
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0170
121 E A -1.0827
122 A A 0.0000
123 R A -1.0506
124 S A 0.0000
125 L A 0.1128
126 T A -0.2636
127 T A -0.1560
128 W A 0.0999 mutated: GA128W
129 E A -1.4878
130 T A -1.2226
131 G A -1.2791
132 Y A -0.8265
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 0.4150
140 P A 0.7820
141 V A 1.7950

 

Laboratory of Theory of Biopolymers 2015