Project name: SH3_Y136W

Status: done

submitted: 2019-03-14 17:18:16, status changed: 2019-03-14 18:58:33
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA136W
Energy difference between WT (input) and mutated protein (by FoldX) 2.56077 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
-3.4909
Maximal score value
1.2498
Average score
-0.9069
Total score value
-54.4124

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 -0.6227
88 A A 0.0000
89 L A -0.3166
90 Y A -0.7444
91 D A -2.8668
92 Y A -2.1366
93 E A -2.8944
94 S A 0.0000
95 R A -2.7855
96 T A -2.1525
97 E A -2.3511
98 T A -1.2389
99 D A -1.3243
100 L A 0.0000
101 S A -1.9111
102 F A 0.0000
103 K A -3.4909
104 K A -2.8665
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 0.4381
111 V A 1.2498
112 N A -0.4203
113 N A -1.8134
114 T A -1.7331
115 E A -2.9358
116 G A -2.6105
117 D A -2.6897
118 W A -1.3512
119 W A -0.7021
120 L A 0.4028
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 -1.4113
129 T A -0.4940
130 G A 0.0000
131 Y A 0.2169
132 I A 0.0000
133 P A -0.5640
134 S A -1.2911
135 N A -1.2539
136 W A -0.2163 mutated: YA136W
137 V A 0.0000
138 A A -0.0205
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015