Project name: SH3_G131S

Status: done

submitted: 2019-03-14 19:21:56, status changed: 2019-03-14 22:39:26
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA131S
Energy difference between WT (input) and mutated protein (by FoldX) 3.73816 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
-3.0998
Maximal score value
1.7964
Average score
-0.958
Total score value
-54.6043

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 0.9238
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5611
93 Y A -1.9337
94 E A -2.6480
95 A A -2.6261
96 R A -2.9862
97 T A -2.6616
98 E A -3.0998
99 D A -3.0360
100 D A 0.0000
101 L A 0.0000
102 S A -2.2085
103 F A 0.0000
104 H A -2.7295
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5078
111 I A -0.0534
112 L A 0.1468
113 N A -0.8879
114 S A -1.1794
115 S A -1.5962
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1001
120 W A -1.0520
121 E A -1.1433
122 A A 0.0000
123 R A -1.7057
124 S A 0.0000
125 L A 0.0603
126 T A -0.4730
127 T A -0.8192
128 G A -1.3522
129 E A -2.2306
130 T A -1.6719
131 S A -1.4728 mutated: GA131S
132 Y A -0.8550
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4158
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015