Project name: SH3_G105I

Status: done

submitted: 2019-03-14 15:22:33, status changed: 2019-03-14 16:50:14
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA105I
Energy difference between WT (input) and mutated protein (by FoldX) 4.0151 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
-2.9363
Maximal score value
1.2498
Average score
-0.7466
Total score value
-44.7971

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 0.1474
87 V A 0.1083
88 A A 0.0000
89 L A 0.4232
90 Y A -0.1356
91 D A -2.3420
92 Y A -2.0292
93 E A -2.8684
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 -1.8858
102 F A 0.0000
103 K A -2.6026
104 K A -1.2927
105 I A 0.6719 mutated: GA105I
106 E A 0.0000
107 R A -1.4451
108 L A 0.0000
109 Q A -0.2623
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 -0.2794
125 T A -0.4491
126 T A -0.8687
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 -1.2857
135 N A -1.2485
136 Y A -0.1723
137 V A 0.0000
138 A A -0.0524
139 P A -0.1772
140 S A -0.2055

 

Laboratory of Theory of Biopolymers 2015