Project name: SH3_G131I

Status: done

submitted: 2019-03-14 19:21:37, status changed: 2019-03-14 22:36:17
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA131I
Energy difference between WT (input) and mutated protein (by FoldX) 7.99039 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
-3.0277
Maximal score value
1.7964
Average score
-0.9163
Total score value
-52.2289

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 0.5137
86 L A 0.7906
87 F A 0.9204
88 V A 0.4309
89 A A 0.0000
90 L A -0.1503
91 Y A -0.5741
92 D A -2.5585
93 Y A -1.9304
94 E A -2.6437
95 A A -2.5736
96 R A -2.9845
97 T A -2.6603
98 E A -3.0277
99 D A -2.9094
100 D A 0.0000
101 L A 0.0000
102 S A -2.1201
103 F A 0.0000
104 H A -2.7258
105 K A -2.4041
106 G A -1.4553
107 E A -1.3021
108 K A -0.6382
109 F A 0.0000
110 Q A -0.5122
111 I A -0.0105
112 L A 0.2001
113 N A -0.8892
114 S A -1.1786
115 S A -1.5979
116 E A -2.5628
117 G A -2.1364
118 D A -2.4433
119 W A -1.0494
120 W A -0.9802
121 E A -1.0075
122 A A 0.0000
123 R A -1.5302
124 S A 0.0000
125 L A 0.0949
126 T A -0.4391
127 T A -0.7578
128 G A -1.2182
129 E A -1.9693
130 T A -1.3810
131 I A -1.0244 mutated: GA131I
132 Y A -0.6259
133 I A 0.0000
134 P A 0.0000
135 S A -0.9182
136 N A -1.1508
137 Y A -0.1246
138 V A 0.0000
139 A A 0.4158
140 P A 0.7739
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015