Project name: SH3_G128I

Status: done

submitted: 2019-03-14 19:19:31, status changed: 2019-03-14 22:21:40
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128I
Energy difference between WT (input) and mutated protein (by FoldX) 5.10517 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
-0.8112
Total score value
-46.2404

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 0.5159
86 L A 0.8005
87 F A 0.9043
88 V A 0.4117
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 -1.3406
108 K A -0.6513
109 F A 0.0000
110 Q A -0.1945
111 I A 0.0178
112 L A 0.2100
113 N A -0.8848
114 S A -1.1776
115 S A -1.5953
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0223
121 E A -1.0888
122 A A 0.0000
123 R A -0.7322
124 S A 0.0000
125 L A 0.6757
126 T A 0.1202
127 T A 0.3385
128 I A 1.0148 mutated: GA128I
129 E A -1.0338
130 T A -0.9835
131 G A -1.1925
132 Y A -0.8246
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 0.7749
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015