Project name: SH3_L125I

Status: done

submitted: 2019-03-14 19:17:23, status changed: 2019-03-14 22:07:16
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA125I
Energy difference between WT (input) and mutated protein (by FoldX) 1.18643 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
1.8012
Average score
-0.9205
Total score value
-52.4701

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 0.5353
86 L A 0.9230
87 F A 0.9810
88 V A 0.4402
89 A A 0.0000
90 L A -0.1771
91 Y A -0.5856
92 D A -2.5609
93 Y A -1.9321
94 E A -2.6452
95 A A -2.6259
96 R A -2.9852
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 -2.2059
103 F A 0.0000
104 H A -2.7413
105 K A -2.4257
106 G A -1.4901
107 E A -1.1829
108 K A -0.4576
109 F A 0.0000
110 Q A -0.4424
111 I A -0.1004
112 L A 0.1105
113 N A -0.9007
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 -1.1028
120 W A -1.0695
121 E A -1.1730
122 A A 0.0000
123 R A -1.5717
124 S A 0.0000
125 I A 0.8176 mutated: LA125I
126 T A -0.0892
127 T A -0.5981
128 G A -1.1351
129 E A -2.1202
130 T A -1.6289
131 G A -1.5047
132 Y A -0.8707
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1511
137 Y A -0.1364
138 V A 0.0000
139 A A 0.4030
140 P A 0.7700
141 V A 1.8012

 

Laboratory of Theory of Biopolymers 2015