Project name: SH3_Q128V

Status: done

submitted: 2019-03-14 15:37:15, status changed: 2019-03-14 18:19:30
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues QA128V
Energy difference between WT (input) and mutated protein (by FoldX) 1.36857 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
-3.4844
Maximal score value
1.2517
Average score
-0.757
Total score value
-45.4196

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 -0.1044
87 V A -0.6223
88 A A 0.0000
89 L A -0.3125
90 Y A -0.7367
91 D A -2.8520
92 Y A -2.1041
93 E A -2.8797
94 S A 0.0000
95 R A -2.7830
96 T A -2.1535
97 E A -2.3526
98 T A -1.2385
99 D A -1.0502
100 L A 0.0000
101 S A -1.4779
102 F A 0.0000
103 K A -3.4844
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.0733
108 L A 0.0000
109 Q A -0.2473
110 I A 0.4388
111 V A 1.2517
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 0.4077
121 A A 0.0000
122 H A 0.3471
123 S A 0.0000
124 L A 0.1862
125 T A -0.3775
126 T A -0.0485
127 G A 0.4294
128 V A 1.1985 mutated: QA128V
129 T A 0.7998
130 G A 0.0000
131 Y A 0.2234
132 I A 0.0000
133 P A 0.0000
134 S A -1.2857
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015