Project name: SH3_G105D

Status: done

submitted: 2019-03-14 15:22:24, status changed: 2019-03-14 16:49:08
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA105D
Energy difference between WT (input) and mutated protein (by FoldX) 3.42713 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
-3.808
Maximal score value
1.2498
Average score
-0.9676
Total score value
-58.0569

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 -0.3021
87 V A -1.0994
88 A A 0.0000
89 L A -0.6632
90 Y A -0.9798
91 D A -3.0282
92 Y A -2.0989
93 E A -2.8775
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 -1.8981
102 F A 0.0000
103 K A -3.8080
104 K A -3.5096
105 D A -3.3013 mutated: GA105D
106 E A 0.0000
107 R A -2.4210
108 L A 0.0000
109 Q A -0.2590
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 -0.9482
126 T A -0.8752
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 -0.2150
137 V A 0.0000
138 A A -0.0447
139 P A -0.1706
140 S A -0.1981

 

Laboratory of Theory of Biopolymers 2015