Project name: SH3_W118Q

Status: done

submitted: 2019-03-14 15:31:04, status changed: 2019-03-14 17:41:18
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA118Q
Energy difference between WT (input) and mutated protein (by FoldX) 1.42495 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
-3.4621
Maximal score value
1.2428
Average score
-1.0191
Total score value
-61.1459

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 -0.1038
87 V A -0.6194
88 A A 0.0000
89 L A -0.2946
90 Y A -0.7011
91 D A -2.8102
92 Y A -2.0603
93 E A -2.8771
94 S A 0.0000
95 R A -2.8146
96 T A -2.2258
97 E A -2.4201
98 T A -1.3623
99 D A -1.7152
100 L A 0.0000
101 S A -1.9421
102 F A 0.0000
103 K A -3.4621
104 K A -2.8424
105 G A -1.9589
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2478
110 I A 0.4287
111 V A 1.2428
112 N A -0.5963
113 N A -2.0787
114 T A -1.9094
115 E A -3.2877
116 G A -2.9741
117 D A -3.3323
118 Q A -2.6939 mutated: WA118Q
119 W A -1.3895
120 L A 0.0438
121 A A 0.0000
122 H A -0.3962
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 -1.4324
129 T A -0.5487
130 G A 0.0000
131 Y A -0.3250
132 I A 0.0000
133 P A -1.1111
134 S A -1.7290
135 N A -1.4377
136 Y A -0.3305
137 V A 0.0000
138 A A -0.0203
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015