Project name: SH3_L124S

Status: done

submitted: 2019-03-14 15:34:06, status changed: 2019-03-14 18:00:48
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA124S
Energy difference between WT (input) and mutated protein (by FoldX) 1.57358 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
1.1478
Average score
-0.9872
Total score value
-59.2343

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 -0.4902
82 S A -0.7352
83 H A -0.8296
84 M A 0.1971
85 T A -0.5061
86 F A -0.1925
87 V A -0.6675
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 -1.3222
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 -2.4870
108 L A 0.0000
109 Q A -0.8332
110 I A 0.2610
111 V A 1.1478
112 N A -0.4649
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 -0.7026
120 L A 0.3489
121 A A 0.0000
122 H A -0.8326
123 S A 0.0000
124 S A -1.4526 mutated: LA124S
125 T A -1.3182
126 T A -1.2086
127 G A -1.1802
128 Q A -1.6175
129 T A -0.6881
130 G A 0.0000
131 Y A 0.2134
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 -0.0222
139 P A -0.1874
140 S A -0.1780

 

Laboratory of Theory of Biopolymers 2015