Project name: SH3_T96G

Status: done

submitted: 2019-03-14 15:17:05, status changed: 2019-03-14 16:17:41
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues TA96G
Energy difference between WT (input) and mutated protein (by FoldX) -0.177628 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
-3.4832
Maximal score value
1.2498
Average score
-0.92
Total score value
-55.198

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 -0.3122
90 Y A -0.7361
91 D A -2.8515
92 Y A -2.1128
93 E A -2.9414
94 S A 0.0000
95 R A -2.9928
96 G A -2.5765 mutated: TA96G
97 E A -2.5696
98 T A -1.4061
99 D A -1.5318
100 L A 0.0000
101 S A -1.9686
102 F A 0.0000
103 K A -3.4832
104 K A -2.8612
105 G A -1.9621
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4372
111 V A 1.2498
112 N A -0.4197
113 N A -1.8138
114 T A -1.7325
115 E A -2.9357
116 G A -2.6079
117 D A -2.6834
118 W A -1.3509
119 W A -0.7068
120 L A 0.3913
121 A A 0.0000
122 H A -0.3840
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 -1.4209
129 T A -0.5105
130 G A 0.0000
131 Y A 0.1398
132 I A 0.0000
133 P A 0.0000
134 S A -1.2850
135 N A -1.2482
136 Y A -0.2033
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