Project name: SH3_V88S

Status: done

submitted: 2019-03-14 18:56:18, status changed: 2019-03-14 19:21:41
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA88S
Energy difference between WT (input) and mutated protein (by FoldX) 2.22367 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
1.6744
Average score
-0.9901
Total score value
-56.4343

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 0.4725
86 L A 0.6992
87 F A 0.7224
88 S A 0.0190 mutated: VA88S
89 A A 0.0000
90 L A -0.2146
91 Y A -0.6072
92 D A -2.5510
93 Y A -1.9262
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 -2.7695
105 K A -2.4711
106 G A -1.5778
107 E A -1.4238
108 K A -0.8034
109 F A 0.0000
110 Q A -0.5552
111 I A -0.0565
112 L A 0.1430
113 N A -0.8879
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 -1.0557
121 E A -1.1529
122 A A 0.0000
123 R A -1.7040
124 S A 0.0000
125 L A 0.0559
126 T A -0.4506
127 T A -0.8078
128 G A -1.3446
129 E A -2.2334
130 T A -1.6879
131 G A -1.4991
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9202
136 N A -1.1439
137 Y A -0.1767
138 V A 0.0000
139 A A 0.2890
140 P A 0.6645
141 V A 1.6744

 

Laboratory of Theory of Biopolymers 2015