Project name: SH3_Y131N

Status: done

submitted: 2019-03-14 15:38:37, status changed: 2019-03-14 18:28:02
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA131N
Energy difference between WT (input) and mutated protein (by FoldX) 2.05251 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
-3.4774
Maximal score value
0.9246
Average score
-0.9781
Total score value
-58.6859

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 -2.8409
92 Y A -2.1023
93 E A -2.8828
94 S A 0.0000
95 R A -2.7834
96 T A -2.2472
97 E A -2.4468
98 T A -1.4486
99 D A -1.6643
100 L A 0.0000
101 S A -2.0219
102 F A 0.0000
103 K A -3.4774
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 -0.2970
110 I A 0.2162
111 V A 0.9246
112 N A -1.0285
113 N A -2.1356
114 T A -1.8725
115 E A -3.0053
116 G A -2.6530
117 D A -2.7590
118 W A -1.5921
119 W A -1.0793
120 L A -0.0512
121 A A 0.0000
122 H A -0.5406
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 -0.6437
130 G A 0.0000
131 N A -0.6558 mutated: YA131N
132 I A 0.0000
133 P A 0.0000
134 S A -1.3750
135 N A -1.2419
136 Y A -0.1961
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