Project name: SH3_L86S

Status: done

submitted: 2019-03-14 18:54:52, status changed: 2019-03-14 19:09:37
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA86S
Energy difference between WT (input) and mutated protein (by FoldX) 2.328 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
1.6342
Average score
-0.968
Total score value
-55.177

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 0.2198
86 S A 0.2498 mutated: LA86S
87 F A 0.6663
88 V A 0.3361
89 A A 0.0000
90 L A -0.1100
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 -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2059
103 F A 0.0000
104 H A -2.6666
105 K A -2.2916
106 G A -1.2173
107 E A -1.1108
108 K A -0.6205
109 F A 0.0000
110 Q A -0.7548
111 I A -0.2398
112 L A 0.1093
113 N A -0.9035
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 -1.0694
121 E A -1.1713
122 A A 0.0000
123 R A -1.7035
124 S A 0.0000
125 L A 0.3912
126 T A -0.2272
127 T A -0.6939
128 G A -1.2405
129 E A -2.1706
130 T A -1.6611
131 G A -1.4992
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1511
137 Y A -0.1396
138 V A 0.0000
139 A A 0.3343
140 P A 0.5870
141 V A 1.6342

 

Laboratory of Theory of Biopolymers 2015