Project name: SH3_Y136P

Status: done

submitted: 2019-03-14 17:18:03, status changed: 2019-03-14 18:57:32
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA136P
Energy difference between WT (input) and mutated protein (by FoldX) 4.82033 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
-3.4095
Maximal score value
1.2495
Average score
-0.9114
Total score value
-54.6826

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 -0.1419
87 V A -0.6473
88 A A 0.0000
89 L A -0.3127
90 Y A -0.5988
91 D A -2.7630
92 Y A -2.0316
93 E A -2.8423
94 S A 0.0000
95 R A -2.7755
96 T A -2.1543
97 E A -2.3529
98 T A -1.2421
99 D A -1.3205
100 L A 0.0000
101 S A -1.8781
102 F A 0.0000
103 K A -3.4095
104 K A -2.8066
105 G A -1.9233
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4366
111 V A 1.2495
112 N A -0.4209
113 N A -1.8157
114 T A -1.7334
115 E A -2.9377
116 G A -2.6153
117 D A -2.6984
118 W A -1.3989
119 W A -0.7110
120 L A 0.3972
121 A A 0.0000
122 H A -0.3844
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 -1.4119
129 T A -0.4955
130 G A 0.0000
131 Y A 0.2070
132 I A 0.0000
133 P A -0.6772
134 S A -1.4216
135 N A -1.4057
136 P A -0.4922 mutated: YA136P
137 V A 0.0000
138 A A -0.0930
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015