Project name: SH3_T98G

Status: done

submitted: 2019-03-14 15:18:37, status changed: 2019-03-14 16:27:31
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues TA98G
Energy difference between WT (input) and mutated protein (by FoldX) -0.0784477 kcal/mol

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
-3.4838
Maximal score value
1.2794
Average score
-0.91
Total score value
-54.6027

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 -2.1092
93 E A -2.8863
94 S A 0.0000
95 R A -2.8259
96 T A -2.2503
97 E A -2.4950
98 G A -1.5283 mutated: TA98G
99 D A -1.4989
100 L A 0.0000
101 S A -1.9452
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2387
110 I A 0.4550
111 V A 1.2794
112 N A -0.3694
113 N A -1.7935
114 T A -1.7186
115 E A -2.9322
116 G A -2.6122
117 D A -2.7033
118 W A -1.3737
119 W A -0.6987
120 L A 0.3930
121 A A 0.0000
122 H A -0.3774
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4152
129 T A -0.5438
130 G A 0.0000
131 Y A 0.1099
132 I A 0.0000
133 P A 0.0000
134 S A -1.2965
135 N A -1.2527
136 Y A -0.2070
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