Project name: SH3_G117L

Status: done

submitted: 2019-03-14 19:13:02, status changed: 2019-03-14 21:35:34
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA117L
Energy difference between WT (input) and mutated protein (by FoldX) 3.75107 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
1.7964
Average score
-0.8483
Total score value
-48.3511

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 0.4313
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 -0.5087
111 I A -0.0563
112 L A 0.1437
113 N A -0.6354
114 S A -0.6998
115 S A -0.9992
116 E A -1.6426
117 L A -0.2740 mutated: GA117L
118 D A -1.5402
119 W A -0.5669
120 W A -0.6639
121 E A -0.9630
122 A A 0.0000
123 R A -1.7151
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 -1.5001
132 Y A -0.8702
133 I A 0.0000
134 P A 0.0000
135 S A -0.6791
136 N A -1.1531
137 Y A -0.1264
138 V A 0.0000
139 A A 0.4154
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015