Project name: SH3_F86A

Status: done

submitted: 2019-03-14 15:09:52, status changed: 2019-03-14 15:35:23
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86A
Energy difference between WT (input) and mutated protein (by FoldX) 4.17162 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
1.2773
Average score
-0.9149
Total score value
-54.8912

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 -0.5363
82 S A -0.7999
83 H A -0.9922
84 M A -0.1846
85 T A 0.0000
86 A A 0.0000 mutated: FA86A
87 V A -0.7216
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 -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3154
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 -2.1264
108 L A 0.0000
109 Q A -0.3681
110 I A 0.3817
111 V A 1.2773
112 N A -0.3912
113 N A -1.7825
114 T A -1.7201
115 E A -2.9203
116 G A -2.5949
117 D A -2.6693
118 W A -1.3101
119 W A -0.6249
120 L A 0.4452
121 A A 0.0000
122 H A -0.3696
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 -0.4918
130 G A 0.0000
131 Y A 0.2455
132 I A 0.0000
133 P A 0.0000
134 S A -1.2643
135 N A -1.2415
136 Y A -0.2257
137 V A 0.0000
138 A A -0.0875
139 P A -0.3200
140 S A -0.3355

 

Laboratory of Theory of Biopolymers 2015