Project name: SH3_G127Q

Status: done

submitted: 2019-03-14 15:36:18, status changed: 2019-03-14 18:13:16
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127Q
Energy difference between WT (input) and mutated protein (by FoldX) 3.10062 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
-3.4824
Maximal score value
1.26
Average score
-0.949
Total score value
-56.9386

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 -2.8528
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 -1.3229
100 L A 0.0000
101 S A -1.9021
102 F A 0.0000
103 K A -3.4824
104 K A -2.8616
105 G A -1.9619
106 E A 0.0000
107 R A -2.1689
108 L A 0.0000
109 Q A -0.3069
110 I A 0.4480
111 V A 1.2600
112 N A -0.4152
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 -0.6932
120 L A 0.4140
121 A A 0.0000
122 H A -0.6035
123 S A 0.0000
124 L A -0.8655
125 T A -1.1464
126 T A -1.3369
127 Q A -1.6812 mutated: GA127Q
128 Q A -1.8323
129 T A -0.6959
130 G A 0.0000
131 Y A 0.2259
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