Project name: SH3_V141L

Status: done

submitted: 2019-03-14 19:26:47, status changed: 2019-03-14 23:16:31
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA141L
Energy difference between WT (input) and mutated protein (by FoldX) 0.330121 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
1.5986
Average score
-0.9489
Total score value
-54.0892

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 0.4635
86 L A 0.7651
87 F A 0.8850
88 V A 0.4059
89 A A 0.0000
90 L A -0.1091
91 Y A -0.5476
92 D A -2.5260
93 Y A -1.9321
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 -2.6596
105 K A -2.2923
106 G A -1.2433
107 E A -1.1360
108 K A -0.4722
109 F A 0.0000
110 Q A -0.4862
111 I A -0.0420
112 L A 0.1378
113 N A -0.8903
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 -1.0578
121 E A -1.1558
122 A A 0.0000
123 R A -1.6792
124 S A 0.0000
125 L A 0.1570
126 T A -0.3829
127 T A -0.7866
128 G A -1.3432
129 E A -2.2314
130 T A -1.6891
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 -1.1511
137 Y A -0.1440
138 V A 0.0000
139 A A 0.3664
140 P A 0.6622
141 L A 1.5986 mutated: VA141L

 

Laboratory of Theory of Biopolymers 2015