Project name: SH3_F87D

Status: done

submitted: 2019-03-14 18:55:06, status changed: 2019-03-14 19:14:09
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA87D
Energy difference between WT (input) and mutated protein (by FoldX) 6.40359 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
1.7174
Average score
-0.9924
Total score value
-56.5691

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 0.4685
86 L A 0.6899
87 D A 0.0000 mutated: FA87D
88 V A 0.3186
89 A A 0.0000
90 L A -0.1784
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 -2.7282
105 K A -2.4059
106 G A -1.4857
107 E A -1.3428
108 K A -0.7096
109 F A 0.0000
110 Q A -0.5365
111 I A -0.0498
112 L A 0.1754
113 N A -0.8755
114 S A -1.1773
115 S A -1.6085
116 E A -2.5834
117 G A -2.1858
118 D A -2.4957
119 W A -1.1864
120 W A -1.0392
121 E A -1.1370
122 A A 0.0000
123 R A -1.6928
124 S A 0.0000
125 L A 0.0375
126 T A -0.4722
127 T A -0.8197
128 G A -1.3549
129 E A -2.2382
130 T A -1.6857
131 G A -1.4954
132 Y A -0.8722
133 I A 0.0000
134 P A 0.0000
135 S A -0.9702
136 N A -1.1616
137 Y A -0.1641
138 V A 0.0000
139 A A 0.3358
140 P A 0.6759
141 V A 1.7174

 

Laboratory of Theory of Biopolymers 2015