Project name: SH3_F86V

Status: done

submitted: 2019-03-14 15:10:29, status changed: 2019-03-14 15:36:43
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86V
Energy difference between WT (input) and mutated protein (by FoldX) 2.05005 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
-3.4841
Maximal score value
1.2909
Average score
-0.8972
Total score value
-53.83

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 -0.4590
82 S A -0.6966
83 H A -0.8249
84 M A 0.1615
85 T A 0.0000
86 V A 0.0000 mutated: FA86V
87 V A -0.7242
88 A A 0.0000
89 L A -0.3375
90 Y A -0.7370
91 D A -2.8528
92 Y A -2.1055
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1546
97 E A -2.3532
98 T A -1.2421
99 D A -1.3192
100 L A 0.0000
101 S A -1.9038
102 F A 0.0000
103 K A -3.4841
104 K A -2.8621
105 G A -1.9875
106 E A 0.0000
107 R A -2.1210
108 L A 0.0000
109 Q A -0.2841
110 I A 0.4558
111 V A 1.2909
112 N A -0.3790
113 N A -1.7787
114 T A -1.7203
115 E A -2.9229
116 G A -2.5978
117 D A -2.6744
118 W A -1.3193
119 W A -0.6366
120 L A 0.4456
121 A A 0.0000
122 H A -0.3608
123 S A 0.0000
124 L A -0.2611
125 T A -0.7697
126 T A -0.8664
127 G A -0.7971
128 Q A -1.4018
129 T A -0.4840
130 G A 0.0000
131 Y A 0.2387
132 I A 0.0000
133 P A 0.0000
134 S A -1.2673
135 N A -1.2435
136 Y A -0.2260
137 V A 0.0000
138 A A -0.0881
139 P A -0.2487
140 S A -0.2646

 

Laboratory of Theory of Biopolymers 2015