Project name: SH3_G117Q

Status: done

submitted: 2019-03-14 19:13:11, status changed: 2019-03-14 21:36:22
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA117Q
Energy difference between WT (input) and mutated protein (by FoldX) 3.60369 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
-1.0188
Total score value
-58.0688

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 0.5173
86 L A 0.7932
87 F A 0.9239
88 V A 0.4313
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 -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5088
111 I A -0.0561
112 L A 0.1435
113 N A -1.0184
114 S A -1.4233
115 S A -1.8895
116 E A -3.0103
117 Q A -3.0397 mutated: GA117Q
118 D A -2.9139
119 W A -1.4408
120 W A -1.2801
121 E A -1.2611
122 A A 0.0000
123 R A -1.7152
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.5083
132 Y A -0.8906
133 I A 0.0000
134 P A 0.0000
135 S A -1.0620
136 N A -1.1618
137 Y A -0.1326
138 V A 0.0000
139 A A 0.4160
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015