Project name: SH3_V141M

Status: done

submitted: 2019-03-14 19:26:49, status changed: 2019-03-14 23:16:31
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA141M
Energy difference between WT (input) and mutated protein (by FoldX) -0.193949 kcal/mol

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
1.1142
Average score
-0.9641
Total score value
-54.9544

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 0.3417
86 L A 0.6060
87 F A 0.7445
88 V A 0.3348
89 A A 0.0000
90 L A -0.0776
91 Y A -0.5322
92 D A -2.5183
93 Y A -1.9312
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 -2.6372
105 K A -2.2562
106 G A -1.2267
107 E A -1.0675
108 K A -0.4629
109 F A 0.0000
110 Q A -0.4533
111 I A -0.0346
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 -1.6558
124 S A 0.0000
125 L A 0.2276
126 T A -0.3417
127 T A -0.7665
128 G A -1.3257
129 E A -2.2234
130 T A -1.6811
131 G A -1.4991
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1501
137 Y A -0.1366
138 V A 0.0000
139 A A 0.2554
140 P A 0.4264
141 M A 1.1142 mutated: VA141M

 

Laboratory of Theory of Biopolymers 2015