Project name: SH3_F86I

Status: done

submitted: 2019-03-14 15:10:05, status changed: 2019-03-14 15:35:43
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86I
Energy difference between WT (input) and mutated protein (by FoldX) 2.22766 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
1.3663
Average score
-0.9074
Total score value
-54.4439

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 -0.5364
82 S A -0.8055
83 H A -1.0203
84 M A -0.2272
85 T A 0.0000
86 I A 0.0000 mutated: FA86I
87 V A -0.7215
88 A A 0.0000
89 L A -0.3368
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 -2.1625
97 E A -2.3611
98 T A -1.2576
99 D A -1.3508
100 L A 0.0000
101 S A -1.9140
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 -2.1162
108 L A 0.0000
109 Q A -0.3213
110 I A 0.5030
111 V A 1.3663
112 N A -0.2810
113 N A -1.6419
114 T A -1.6572
115 E A -2.8858
116 G A -2.5769
117 D A -2.6815
118 W A -1.3406
119 W A -0.6044
120 L A 0.4879
121 A A 0.0000
122 H A -0.3486
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 -0.4908
130 G A 0.0000
131 Y A 0.1919
132 I A 0.0000
133 P A 0.0000
134 S A -1.2613
135 N A -1.2487
136 Y A -0.2284
137 V A 0.0000
138 A A -0.0871
139 P A -0.3211
140 S A -0.3475

 

Laboratory of Theory of Biopolymers 2015