Project name: SH3_I110R

Status: done

submitted: 2019-03-14 15:25:04, status changed: 2019-03-14 17:07:00
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA110R
Energy difference between WT (input) and mutated protein (by FoldX) 3.35522 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
-3.4838
Maximal score value
0.633
Average score
-1.0095
Total score value
-60.568

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
81 G A -0.7171
82 S A -0.9650
83 H A -1.0034
84 M A -0.4184
85 T A 0.0000
86 F A 0.0000
87 V A -0.7219
88 A A 0.0000
89 L A -0.3370
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1057
93 E A -2.8817
94 S A 0.0000
95 R A -2.7840
96 T A -2.1637
97 E A -2.3623
98 T A -1.2597
99 D A -1.3623
100 L A 0.0000
101 S A -1.9153
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9867
106 E A 0.0000
107 R A -2.2717
108 L A 0.0000
109 Q A -1.0668
110 R A -1.0169 mutated: IA110R
111 V A 0.6330
112 N A -0.6813
113 N A -1.8913
114 T A -1.6122
115 E A -2.8622
116 G A -2.5625
117 D A -2.6819
118 W A -1.3549
119 W A -0.9746
120 L A 0.0701
121 A A 0.0000
122 H A -0.7380
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4120
129 T A -0.6518
130 G A 0.0000
131 Y A -0.0024
132 I A 0.0000
133 P A 0.0000
134 S A -1.4295
135 N A -1.2560
136 Y A -0.2294
137 V A 0.0000
138 A A -0.0882
139 P A -0.4731
140 S A -0.3405

 

Laboratory of Theory of Biopolymers 2015