Project name: SH3_Y93S

Status: done

submitted: 2019-03-14 18:59:07, status changed: 2019-03-14 19:42:35
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93S
Energy difference between WT (input) and mutated protein (by FoldX) 4.86771 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
-3.1595
Maximal score value
1.7964
Average score
-1.0235
Total score value
-58.3395

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
85 T A 0.5173
86 L A 0.7932
87 F A 0.9296
88 V A 0.4385
89 A A 0.0000
90 L A -0.1604
91 Y A -0.6124
92 D A -2.6482
93 S A -2.1386 mutated: YA93S
94 E A -2.7679
95 A A -2.7382
96 R A -3.0522
97 T A -2.7139
98 E A -3.1595
99 D A -3.1380
100 D A -2.2797
101 L A 0.0000
102 S A -2.3134
103 F A 0.0000
104 H A -2.7787
105 K A -2.4340
106 G A -1.4599
107 E A -1.3105
108 K A -0.6440
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0573
112 L A 0.1425
113 N A -0.8930
114 S A -1.1865
115 S A -1.6003
116 E A -2.5660
117 G A -2.1432
118 D A -2.4603
119 W A -1.1569
120 W A -1.0952
121 E A -1.1896
122 A A 0.0000
123 R A -1.7161
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.7211
131 G A -1.5713
132 Y A -0.9626
133 I A 0.0000
134 P A 0.0000
135 S A -0.9134
136 N A -1.1287
137 Y A -0.1065
138 V A 0.0000
139 A A 0.4271
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015