Project name: SH3_G128E

Status: done

submitted: 2019-03-14 19:19:23, status changed: 2019-03-14 22:21:31
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128E
Energy difference between WT (input) and mutated protein (by FoldX) 3.08102 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
-1.0123
Total score value
-57.7022

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 0.5225
86 L A 0.8576
87 F A 0.9300
88 V A 0.4344
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 -3.0436
100 D A 0.0000
101 L A 0.0000
102 S A -2.2061
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3058
108 K A -0.5550
109 F A 0.0000
110 Q A -0.5047
111 I A 0.0279
112 L A 0.1343
113 N A -0.9447
114 S A -1.2067
115 S A -1.6109
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0201
121 E A -1.0793
122 A A 0.0000
123 R A -1.6566
124 S A 0.0000
125 L A -0.2547
126 T A -0.7950
127 T A -1.4578
128 E A -2.6926 mutated: GA128E
129 E A -2.7993
130 T A -1.8494
131 G A -1.5449
132 Y A -0.8065
133 I A 0.0000
134 P A 0.0000
135 S A -0.9203
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4158
140 P A 0.7781
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015