Project name: SH3_Y132S

Status: done

submitted: 2019-03-14 19:22:38, status changed: 2019-03-14 22:44:45
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA132S
Energy difference between WT (input) and mutated protein (by FoldX) 2.50999 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
-3.201
Maximal score value
1.7964
Average score
-1.0416
Total score value
-59.3699

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 0.5183
86 L A 0.7945
87 F A 0.9243
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6452
95 A A -2.6620
96 R A -2.9852
97 T A -2.6608
98 E A -3.1372
99 D A -3.2010
100 D A 0.0000
101 L A 0.0000
102 S A -2.2419
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6420
109 F A 0.0000
110 Q A -0.5935
111 I A -0.2535
112 L A -0.0872
113 N A -1.1506
114 S A -1.3658
115 S A -1.6810
116 E A -2.6700
117 G A -2.2420
118 D A -2.5768
119 W A -1.3715
120 W A -1.4967
121 E A -1.9637
122 A A 0.0000
123 R A -1.8934
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3580
129 E A -2.2420
130 T A -1.9062
131 G A -1.8723
132 S A -1.4339 mutated: YA132S
133 I A 0.0000
134 P A 0.0000
135 S A -1.0576
136 N A -1.1548
137 Y A -0.1277
138 V A 0.0000
139 A A 0.4149
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015