Project name: SH3_Y91T

Status: done

submitted: 2019-03-14 18:57:49, status changed: 2019-03-14 19:31:55
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA91T
Energy difference between WT (input) and mutated protein (by FoldX) 1.23516 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
1.7964
Average score
-1.0012
Total score value
-57.0707

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 0.5173
86 L A 0.7932
87 F A 0.9756
88 V A 0.3653
89 A A 0.0000
90 L A -0.3507
91 T A -1.6020 mutated: YA91T
92 D A -2.8317
93 Y A -2.0748
94 E A -2.7133
95 A A -2.5940
96 R A -2.9853
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 -2.1495
103 F A 0.0000
104 H A -2.8737
105 K A -2.7488
106 G A -1.5792
107 E A -1.3826
108 K A -0.6024
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8883
114 S A -1.1799
115 S A -1.5966
116 E A -2.5603
117 G A -2.1347
118 D A -2.4456
119 W A -1.0998
120 W A -1.0569
121 E A -1.1536
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.4995
132 Y A -0.8681
133 I A 0.0000
134 P A 0.0000
135 S A -0.9049
136 N A -1.2103
137 Y A -0.2500
138 V A 0.0000
139 A A 0.5124
140 P A 0.7756
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015