Project name: SH3_Y131Q

Status: done

submitted: 2019-03-14 15:38:42, status changed: 2019-03-14 18:29:10
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA131Q
Energy difference between WT (input) and mutated protein (by FoldX) 1.10221 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
-3.4768
Maximal score value
0.9291
Average score
-0.9797
Total score value
-58.7845

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
81 G A -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2668
85 T A 0.0000
86 F A -0.1047
87 V A -0.6192
88 A A 0.0000
89 L A -0.2996
90 Y A -0.7088
91 D A -2.8397
92 Y A -2.0927
93 E A -2.8723
94 S A 0.0000
95 R A -2.7711
96 T A -2.2467
97 E A -2.4478
98 T A -1.4535
99 D A -1.6618
100 L A 0.0000
101 S A -2.0297
102 F A 0.0000
103 K A -3.4768
104 K A -2.8500
105 G A -1.9568
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2864
110 I A 0.2161
111 V A 0.9291
112 N A -1.0230
113 N A -2.1353
114 T A -1.8620
115 E A -2.9943
116 G A -2.6511
117 D A -2.7742
118 W A -1.6091
119 W A -1.0908
120 L A -0.0416
121 A A 0.0000
122 H A -0.5494
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4050
129 T A -0.6525
130 G A 0.0000
131 Q A -0.7682 mutated: YA131Q
132 I A 0.0000
133 P A 0.0000
134 S A -1.3869
135 N A -1.2411
136 Y A -0.1951
137 V A 0.0000
138 A A -0.0219
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015