Project name: SH3_Y137S

Status: done

submitted: 2019-03-14 19:24:49, status changed: 2019-03-14 23:00:24
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA137S
Energy difference between WT (input) and mutated protein (by FoldX) 1.66049 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
-3.1028
Maximal score value
1.7964
Average score
-0.9687
Total score value
-55.2152

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 0.8830
88 V A 0.3770
89 A A 0.0000
90 L A -0.2542
91 Y A -0.6457
92 D A -2.5798
93 Y A -1.9236
94 E A -2.6120
95 A A -2.6088
96 R A -2.9774
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.1839
103 F A 0.0000
104 H A -2.7111
105 K A -2.4412
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8883
114 S A -1.1799
115 S A -1.5966
116 E A -2.5603
117 G A -2.1347
118 D A -2.4456
119 W A -1.1428
120 W A -1.0569
121 E A -1.1536
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.4995
132 Y A -0.8681
133 I A 0.0000
134 P A 0.0000
135 S A -1.0350
136 N A -1.3213
137 S A 0.0000 mutated: YA137S
138 V A 0.0000
139 A A 0.3410
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015