Project name: SH3_Y91G

Status: done

submitted: 2019-03-14 18:57:23, status changed: 2019-03-14 19:28:12
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA91G
Energy difference between WT (input) and mutated protein (by FoldX) 1.1238 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
-3.108
Maximal score value
1.7964
Average score
-1.005
Total score value
-57.2878

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 1.0143
88 V A 0.4319
89 A A 0.0000
90 L A -0.1775
91 G A -1.6696 mutated: YA91G
92 D A -3.1080
93 Y A -2.1967
94 E A -2.7895
95 A A -2.6261
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 -2.2062
103 F A 0.0000
104 H A -2.9929
105 K A -2.8011
106 G A -1.5786
107 E A -1.3973
108 K A -0.5781
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 -1.0896
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 -0.8739
136 N A -1.1361
137 Y A -0.1409
138 V A 0.0000
139 A A 0.5844
140 P A 0.7756
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015