Project name: SH3_G128R

Status: done

submitted: 2019-03-14 19:19:45, status changed: 2019-03-14 22:21:53
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128R
Energy difference between WT (input) and mutated protein (by FoldX) 2.90846 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
1.795
Average score
-1.0632
Total score value
-60.6038

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 0.5161
86 L A 0.7515
87 F A 0.8701
88 V A 0.3756
89 A A 0.0000
90 L A -0.1514
91 Y A -0.5746
92 D A -2.5597
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 -2.7283
105 K A -2.4061
106 G A -1.4586
107 E A -1.4083
108 K A -0.7689
109 F A 0.0000
110 Q A -0.7093
111 I A -0.0019
112 L A 0.1888
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 -1.0312
121 E A -1.1059
122 A A 0.0000
123 R A -2.0825
124 S A 0.0000
125 L A -0.8378
126 T A -1.0882
127 T A -1.6562
128 R A -2.9623 mutated: GA128R
129 E A -2.9867
130 T A -2.0325
131 G A -1.6036
132 Y A -0.8357
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 0.4150
140 P A 0.7744
141 V A 1.7950

 

Laboratory of Theory of Biopolymers 2015