Project name: SH3_L86A

Status: done

submitted: 2019-03-14 18:54:14, status changed: 2019-03-14 19:06:01
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA86A
Energy difference between WT (input) and mutated protein (by FoldX) 1.69293 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
1.6592
Average score
-1.014
Total score value
-57.7964

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 0.1733
86 A A 0.1260 mutated: LA86A
87 F A 0.5623
88 V A 0.2587
89 A A 0.0000
90 L A -0.1079
91 Y A -0.5367
92 D A -2.5201
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 -3.0435
100 D A 0.0000
101 L A 0.0000
102 S A -2.2060
103 F A 0.0000
104 H A -2.6642
105 K A -2.2888
106 G A -1.2122
107 E A -1.1971
108 K A -0.8135
109 F A 0.0000
110 Q A -1.1955
111 I A -0.3706
112 L A 0.0894
113 N A -0.9121
114 S A -1.1613
115 S A -1.5879
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0913
121 E A -1.1958
122 A A 0.0000
123 R A -1.9080
124 S A 0.0000
125 L A -0.1369
126 T A -0.4511
127 T A -0.8251
128 G A -1.4245
129 E A -2.2416
130 T A -1.7429
131 G A -1.4870
132 Y A -0.8563
133 I A 0.0000
134 P A 0.0000
135 S A -0.9195
136 N A -1.1511
137 Y A -0.1396
138 V A 0.0000
139 A A 0.3471
140 P A 0.5688
141 V A 1.6592

 

Laboratory of Theory of Biopolymers 2015