Project name: SH3_F86S

Status: done

submitted: 2019-03-14 15:10:25, status changed: 2019-03-14 15:36:11
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86S
Energy difference between WT (input) and mutated protein (by FoldX) 5.31762 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
-3.4838
Maximal score value
1.2733
Average score
-0.9152
Total score value
-54.9121

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 -0.5358
82 S A -0.7987
83 H A -0.9889
84 M A -0.1790
85 T A 0.0000
86 S A 0.0000 mutated: FA86S
87 V A -0.7217
88 A A 0.0000
89 L A -0.3369
90 Y A -0.7367
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 -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3155
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9867
106 E A 0.0000
107 R A -2.1272
108 L A 0.0000
109 Q A -0.3705
110 I A 0.3747
111 V A 1.2733
112 N A -0.3938
113 N A -1.7847
114 T A -1.7203
115 E A -2.9206
116 G A -2.5952
117 D A -2.6696
118 W A -1.3107
119 W A -0.6280
120 L A 0.4425
121 A A 0.0000
122 H A -0.3717
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 -0.4927
130 G A 0.0000
131 Y A 0.2441
132 I A 0.0000
133 P A 0.0000
134 S A -1.2655
135 N A -1.2417
136 Y A -0.2258
137 V A 0.0000
138 A A -0.0879
139 P A -0.3197
140 S A -0.3342

 

Laboratory of Theory of Biopolymers 2015