Project name: SH3_L125C

Status: done

submitted: 2019-03-14 19:17:08, status changed: 2019-03-14 22:06:36
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA125C
Energy difference between WT (input) and mutated protein (by FoldX) 1.55801 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
1.8123
Average score
-0.9931
Total score value
-56.6072

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 0.5263
86 L A 0.7598
87 F A 0.8776
88 V A 0.3753
89 A A 0.0000
90 L A -0.1547
91 Y A -0.5748
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 -2.7323
105 K A -2.4106
106 G A -1.4668
107 E A -1.4037
108 K A -0.8120
109 F A 0.0000
110 Q A -0.7005
111 I A -0.1104
112 L A 0.1085
113 N A -0.9016
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 -1.0704
121 E A -1.1741
122 A A 0.0000
123 R A -1.8739
124 S A 0.0000
125 C A -0.3577 mutated: LA125C
126 T A -0.6744
127 T A -0.9389
128 G A -1.4945
129 E A -2.3093
130 T A -1.7598
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 -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4222
140 P A 0.7792
141 V A 1.8123

 

Laboratory of Theory of Biopolymers 2015