Project name: SH3_Y131P

Status: done

submitted: 2019-03-14 15:38:39, status changed: 2019-03-14 18:28:04
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA131P
Energy difference between WT (input) and mutated protein (by FoldX) 1.92058 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
-3.4777
Maximal score value
0.9802
Average score
-0.9484
Total score value
-56.9037

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 -0.2999
90 Y A -0.7095
91 D A -2.8412
92 Y A -2.1026
93 E A -2.8832
94 S A 0.0000
95 R A -2.7833
96 T A -2.2133
97 E A -2.4124
98 T A -1.3607
99 D A -1.5162
100 L A 0.0000
101 S A -1.9808
102 F A 0.0000
103 K A -3.4777
104 K A -2.8504
105 G A -1.9568
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2889
110 I A 0.2678
111 V A 0.9802
112 N A -0.9573
113 N A -2.0769
114 T A -1.8573
115 E A -2.9829
116 G A -2.6374
117 D A -2.6994
118 W A -1.4379
119 W A -0.9187
120 L A 0.1558
121 A A 0.0000
122 H A -0.4842
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8781
127 G A -0.8169
128 Q A -1.4116
129 T A -0.5705
130 G A 0.0000
131 P A -0.3055 mutated: YA131P
132 I A 0.0000
133 P A 0.0000
134 S A -1.3098
135 N A -1.2342
136 Y A -0.1905
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