Project name: SH3_L124Y

Status: done

submitted: 2019-03-14 15:34:15, status changed: 2019-03-14 18:01:57
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA124Y
Energy difference between WT (input) and mutated protein (by FoldX) 1.65118 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
-3.4838
Maximal score value
1.3241
Average score
-0.8546
Total score value
-51.2738

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 -0.4189
82 S A -0.6396
83 H A -0.7604
84 M A 0.3221
85 T A 0.0000
86 F A -0.0336
87 V A -0.5858
88 A A 0.0000
89 L A -0.3125
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1055
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2408
99 D A -1.3223
100 L A 0.0000
101 S A -1.9031
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -1.8877
108 L A 0.0000
109 Q A 0.1123
110 I A 0.5711
111 V A 1.3241
112 N A -0.3872
113 N A -1.8138
114 T A -1.7326
115 E A -2.9361
116 G A -2.6085
117 D A -2.6844
118 W A -1.3421
119 W A -0.6981
120 L A 0.4434
121 A A 0.0000
122 H A -0.1857
123 S A 0.0000
124 Y A 0.1917 mutated: LA124Y
125 T A -0.5771
126 T A -0.7484
127 G A -0.6674
128 Q A -1.3321
129 T A -0.4092
130 G A 0.0000
131 Y A 0.2194
132 I A 0.0000
133 P A 0.0000
134 S A -1.2855
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1212
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015