Project name: SH3_G117R

Status: done

submitted: 2019-03-14 19:13:13, status changed: 2019-03-14 21:36:21
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA117R
Energy difference between WT (input) and mutated protein (by FoldX) 3.57975 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
-3.6658
Maximal score value
1.7964
Average score
-1.0528
Total score value
-60.0124

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 0.9236
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
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 -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5088
111 I A -0.0564
112 L A 0.1435
113 N A -1.0965
114 S A -1.5760
115 S A -2.0880
116 E A -3.3156
117 R A -3.6658 mutated: GA117R
118 D A -3.1968
119 W A -1.5633
120 W A -1.3837
121 E A -1.3118
122 A A 0.0000
123 R A -1.7152
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 -2.2401
130 T A -1.6927
131 G A -1.5002
132 Y A -0.8704
133 I A 0.0000
134 P A 0.0000
135 S A -1.1279
136 N A -1.1528
137 Y A -0.1262
138 V A 0.0000
139 A A 0.4156
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015