Project name: SH3_L125H

Status: done

submitted: 2019-03-14 19:17:19, status changed: 2019-03-14 22:06:31
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA125H
Energy difference between WT (input) and mutated protein (by FoldX) 1.80556 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
1.7873
Average score
-1.0966
Total score value
-62.5079

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 0.5268
86 L A 0.5332
87 F A 0.7053
88 V A 0.1918
89 A A 0.0000
90 L A -0.1552
91 Y A -0.5750
92 D A -2.5599
93 Y A -1.9315
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 -2.7325
105 K A -2.4110
106 G A -1.4674
107 E A -1.7622
108 K A -1.3466
109 F A 0.0000
110 Q A -0.9034
111 I A -0.0328
112 L A 0.1559
113 N A -0.8795
114 S A -1.1789
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 -1.0509
121 E A -1.1482
122 A A 0.0000
123 R A -2.2540
124 S A 0.0000
125 H A -2.0496 mutated: LA125H
126 T A -1.5305
127 T A -1.4373
128 G A -1.9974
129 E A -2.5854
130 T A -1.9272
131 G A -1.5045
132 Y A -0.8705
133 I A 0.0000
134 P A 0.0000
135 S A -0.9203
136 N A -1.1504
137 Y A -0.1246
138 V A 0.0000
139 A A 0.4098
140 P A 0.7752
141 V A 1.7873

 

Laboratory of Theory of Biopolymers 2015