Project name: SH3_V88A

Status: done

submitted: 2019-03-14 18:55:43, status changed: 2019-03-14 19:15:48
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA88A
Energy difference between WT (input) and mutated protein (by FoldX) 1.37868 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
1.6884
Average score
-0.9862
Total score value
-56.2129

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 0.4780
86 L A 0.7096
87 F A 0.7464
88 A A 0.0693 mutated: VA88A
89 A A 0.0000
90 L A -0.2020
91 Y A -0.6005
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 -2.7644
105 K A -2.4621
106 G A -1.5633
107 E A -1.4109
108 K A -0.7883
109 F A 0.0000
110 Q A -0.5500
111 I A -0.0574
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 -1.7052
124 S A 0.0000
125 L A 0.0591
126 T A -0.4524
127 T A -0.8087
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 -0.1684
138 V A 0.0000
139 A A 0.3054
140 P A 0.6775
141 V A 1.6884

 

Laboratory of Theory of Biopolymers 2015