Project name: SH3_V141P

Status: done

submitted: 2019-03-14 19:26:54, status changed: 2019-03-14 23:17:10
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA141P
Energy difference between WT (input) and mutated protein (by FoldX) 3.47511 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
0.2342
Average score
-1.0575
Total score value
-60.2749

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 0.0952
86 L A 0.2088
87 F A 0.2342
88 V A -0.1553
89 A A 0.0000
90 L A -0.1105
91 Y A -0.5310
92 D A -2.5181
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 -2.6770
105 K A -2.3007
106 G A -1.4407
107 E A -1.2257
108 K A -0.9887
109 F A 0.0000
110 Q A -0.5071
111 I A -0.0599
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 -1.6995
124 S A 0.0000
125 L A 0.1403
126 T A -0.4096
127 T A -0.7974
128 G A -1.3242
129 E A -2.2214
130 T A -1.6822
131 G A -1.4991
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9207
136 N A -1.1501
137 Y A -0.1355
138 V A 0.0000
139 A A -0.1045
140 P A -0.2269
141 P A -0.2171 mutated: VA141P

 

Laboratory of Theory of Biopolymers 2015