Project name: SH3_V141Q

Status: done

submitted: 2019-03-14 19:26:56, status changed: 2019-03-14 23:17:04
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA141Q
Energy difference between WT (input) and mutated protein (by FoldX) 1.17087 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
0.2382
Average score
-1.0851
Total score value
-61.8503

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 -0.1257
86 L A -0.0226
87 F A 0.0019
88 V A -0.2947
89 A A 0.0000
90 L A -0.0806
91 Y A -0.5348
92 D A -2.5190
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 -2.6365
105 K A -2.2565
106 G A -1.4522
107 E A -1.0617
108 K A -0.8050
109 F A 0.0000
110 Q A -0.4432
111 I A -0.0256
112 L A 0.1378
113 N A -0.8903
114 S A -1.1794
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 -1.0578
121 E A -1.1558
122 A A 0.0000
123 R A -1.6518
124 S A 0.0000
125 L A 0.2382
126 T A -0.3375
127 T A -0.7645
128 G A -1.3281
129 E A -2.2235
130 T A -1.6838
131 G A -1.4992
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1388
138 V A 0.0000
139 A A -0.3158
140 P A -0.6547
141 Q A -1.1128 mutated: VA141Q

 

Laboratory of Theory of Biopolymers 2015