Project name: SH3_G131C

Status: done

submitted: 2019-03-14 19:21:26, status changed: 2019-03-14 22:35:53
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA131C
Energy difference between WT (input) and mutated protein (by FoldX) 3.81921 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
-3.0694
Maximal score value
1.7964
Average score
-0.9446
Total score value
-53.84

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 0.9245
88 V A 0.4328
89 A A 0.0000
90 L A -0.1504
91 Y A -0.5742
92 D A -2.5592
93 Y A -1.9313
94 E A -2.6450
95 A A -2.6038
96 R A -2.9851
97 T A -2.6608
98 E A -3.0694
99 D A -2.9827
100 D A 0.0000
101 L A 0.0000
102 S A -2.1763
103 F A 0.0000
104 H A -2.7267
105 K A -2.4045
106 G A -1.4559
107 E A -1.3032
108 K A -0.6404
109 F A 0.0000
110 Q A -0.5074
111 I A -0.0357
112 L A 0.1668
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 -1.0796
120 W A -1.0231
121 E A -1.0857
122 A A 0.0000
123 R A -1.6651
124 S A 0.0000
125 L A 0.0617
126 T A -0.4719
127 T A -0.8182
128 G A -1.3338
129 E A -2.1888
130 T A -1.5836
131 C A -1.2976 mutated: GA131C
132 Y A -0.7677
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