Project name: SH3_Y92Q

Status: done

submitted: 2019-03-14 15:14:17, status changed: 2019-03-14 15:59:22
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92Q
Energy difference between WT (input) and mutated protein (by FoldX) 3.45982 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
-3.6277
Maximal score value
1.2627
Average score
-0.9826
Total score value
-58.9588

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 -0.4461
82 S A -0.6760
83 H A -0.7865
84 M A 0.2752
85 T A 0.0000
86 F A -0.0967
87 V A -0.6209
88 A A 0.0000
89 L A -0.3866
90 Y A -0.8849
91 D A -3.1344
92 Q A -2.7048 mutated: YA92Q
93 E A -3.1926
94 S A -2.3759
95 R A -2.8811
96 T A -2.2069
97 E A -2.3990
98 T A -1.3164
99 D A -1.5354
100 L A 0.0000
101 S A -2.1287
102 F A 0.0000
103 K A -3.6277
104 K A -2.9584
105 G A -1.9621
106 E A 0.0000
107 R A -2.0632
108 L A 0.0000
109 Q A -0.2064
110 I A 0.4592
111 V A 1.2627
112 N A -0.4031
113 N A -1.7974
114 T A -1.7213
115 E A -2.9136
116 G A -2.5886
117 D A -2.6510
118 W A -1.2897
119 W A -0.6791
120 L A 0.4045
121 A A 0.0000
122 H A -0.3655
123 S A 0.0000
124 L A -0.2742
125 T A -0.7820
126 T A -0.8787
127 G A -0.8174
128 Q A -1.4268
129 T A -0.5145
130 G A 0.0000
131 Y A 0.1740
132 I A 0.0000
133 P A -0.6332
134 S A -1.2805
135 N A -1.2584
136 Y A -0.3198
137 V A 0.0000
138 A A -0.0270
139 P A -0.1460
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015