Project name: SH3_R96V

Status: done

submitted: 2019-03-14 19:01:16, status changed: 2019-03-14 19:58:01
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA96V
Energy difference between WT (input) and mutated protein (by FoldX) 1.38302 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
-2.7199
Maximal score value
1.7964
Average score
-0.7986
Total score value
-45.5184

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 0.9235
88 V A 0.4306
89 A A 0.0000
90 L A -0.1471
91 Y A -0.5658
92 D A -2.5425
93 Y A -1.5010
94 E A -1.7831
95 A A -0.8868
96 V A 0.5937 mutated: RA96V
97 T A -0.9618
98 E A -2.4072
99 D A -2.5235
100 D A -1.3535
101 L A 0.0000
102 S A -1.6772
103 F A 0.0000
104 H A -2.7199
105 K A -2.4004
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5090
111 I A -0.0566
112 L A 0.1431
113 N A -0.8643
114 S A -1.1445
115 S A -1.5755
116 E A -2.5290
117 G A -2.0881
118 D A -2.3642
119 W A -0.9626
120 W A -0.9936
121 E A -1.1400
122 A A 0.0000
123 R A -1.7154
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.7191
131 G A -1.5428
132 Y A -0.8948
133 I A 0.0000
134 P A 0.0000
135 S A -0.8666
136 N A -1.1252
137 Y A -0.1003
138 V A 0.0000
139 A A 0.4159
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015