Project name: SH3_V87G

Status: done

submitted: 2019-03-14 15:10:49, status changed: 2019-03-14 15:40:52
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA87G
Energy difference between WT (input) and mutated protein (by FoldX) 1.93941 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
-3.5356
Maximal score value
1.2498
Average score
-0.9309
Total score value
-55.856

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 -0.4008
87 G A -1.2244 mutated: VA87G
88 A A 0.0000
89 L A -0.3772
90 Y A -0.7656
91 D A -2.8325
92 Y A -2.0943
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3229
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.5356
104 K A -2.9458
105 G A -2.1294
106 E A 0.0000
107 R A -2.2987
108 L A 0.0000
109 Q A -0.3319
110 I A 0.4372
111 V A 1.2498
112 N A -0.4200
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6085
117 D A -2.6844
118 W A -1.3424
119 W A -0.6978
120 L A 0.4047
121 A A 0.0000
122 H A -0.3840
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 -1.4119
129 T A -0.4950
130 G A 0.0000
131 Y A 0.2197
132 I A 0.0000
133 P A 0.0000
134 S A -1.2851
135 N A -1.2332
136 Y A -0.2637
137 V A 0.0000
138 A A -0.1926
139 P A -0.3163
140 S A -0.3607

 

Laboratory of Theory of Biopolymers 2015