Project name: SH3_Y131D

Status: done

submitted: 2019-03-14 15:38:16, status changed: 2019-03-14 18:25:51
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA131D
Energy difference between WT (input) and mutated protein (by FoldX) 3.14779 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
-3.4768
Maximal score value
0.9147
Average score
-0.9871
Total score value
-59.2246

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 -0.1047
87 V A -0.6192
88 A A 0.0000
89 L A -0.2996
90 Y A -0.7088
91 D A -2.8397
92 Y A -2.0998
93 E A -2.8816
94 S A 0.0000
95 R A -2.7832
96 T A -2.2632
97 E A -2.4629
98 T A -1.4838
99 D A -1.7241
100 L A 0.0000
101 S A -2.0411
102 F A 0.0000
103 K A -3.4768
104 K A -2.8500
105 G A -1.9568
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2939
110 I A 0.2051
111 V A 0.9147
112 N A -1.0413
113 N A -2.1481
114 T A -1.8709
115 E A -3.0051
116 G A -2.6556
117 D A -2.7790
118 W A -1.6368
119 W A -1.1225
120 L A -0.0960
121 A A 0.0000
122 H A -0.5569
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 -1.4115
129 T A -0.6687
130 G A 0.0000
131 D A -0.7956 mutated: YA131D
132 I A 0.0000
133 P A 0.0000
134 S A -1.3947
135 N A -1.2433
136 Y A -0.1967
137 V A 0.0000
138 A A -0.0219
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015