Project name: SH3_W119S

Status: done

submitted: 2019-03-14 19:14:44, status changed: 2019-03-14 21:46:15
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119S
Energy difference between WT (input) and mutated protein (by FoldX) 2.80469 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
-3.1008
Maximal score value
1.7964
Average score
-1.0191
Total score value
-58.0873

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 0.9240
88 V A 0.4316
89 A A 0.0000
90 L A -0.1470
91 Y A -0.5669
92 D A -2.5455
93 Y A -1.9075
94 E A -2.6312
95 A A -2.6205
96 R A -2.9819
97 T A -2.6608
98 E A -3.1008
99 D A -3.0389
100 D A 0.0000
101 L A 0.0000
102 S A -2.1948
103 F A 0.0000
104 H A -2.7210
105 K A -2.4006
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0550
112 L A 0.1448
113 N A -0.9746
114 S A -1.3098
115 S A -1.6770
116 E A -2.6806
117 G A -2.3211
118 D A -2.7571
119 S A -1.7362 mutated: WA119S
120 W A -1.3709
121 E A -1.2975
122 A A 0.0000
123 R A -1.7132
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 -2.2402
130 T A -1.6893
131 G A -1.5651
132 Y A -1.0476
133 I A 0.0000
134 P A -0.8348
135 S A -1.1384
136 N A -1.2556
137 Y A -0.1958
138 V A 0.0000
139 A A 0.4162
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015