Project name: SH3_G128F

Status: done

submitted: 2019-03-14 19:19:25, status changed: 2019-03-14 22:21:31
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128F
Energy difference between WT (input) and mutated protein (by FoldX) 4.15138 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
-0.8264
Total score value
-47.1066

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 0.7852
87 F A 0.8972
88 V A 0.4034
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 -1.3586
108 K A -0.6879
109 F A 0.0000
110 Q A -0.2383
111 I A 0.0002
112 L A 0.1897
113 N A -0.8879
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 -1.0307
121 E A -1.1049
122 A A 0.0000
123 R A -0.8460
124 S A 0.0000
125 L A 0.5521
126 T A 0.0472
127 T A 0.2640
128 F A 0.8947 mutated: GA128F
129 E A -1.1058
130 T A -1.0429
131 G A -1.2167
132 Y A -0.8351
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4158
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015