Project name: SH3_Y93W

Status: done

submitted: 2019-03-14 18:59:16, status changed: 2019-03-14 19:42:31
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93W
Energy difference between WT (input) and mutated protein (by FoldX) 3.03144 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
-3.1034
Maximal score value
1.7964
Average score
-0.9795
Total score value
-55.8317

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 0.9175
88 V A 0.4237
89 A A 0.0000
90 L A -0.1559
91 Y A -0.5660
92 D A -2.5281
93 W A -1.8598 mutated: YA93W
94 E A -2.6065
95 A A -2.6065
96 R A -2.9761
97 T A -2.6608
98 E A -3.1034
99 D A -3.0446
100 D A 0.0000
101 L A 0.0000
102 S A -2.1811
103 F A 0.0000
104 H A -2.7090
105 K A -2.3988
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5085
111 I A -0.0568
112 L A 0.1435
113 N A -0.9293
114 S A -1.2443
115 S A -1.6419
116 E A -2.6290
117 G A -2.2502
118 D A -2.5923
119 W A -1.3802
120 W A -1.1920
121 E A -1.2182
122 A A 0.0000
123 R A -1.7155
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 -1.6937
131 G A -1.5315
132 Y A -0.9494
133 I A 0.0000
134 P A 0.0000
135 S A -1.0299
136 N A -1.2135
137 Y A -0.1851
138 V A 0.0000
139 A A 0.4053
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015