Project name: SH3_I110P

Status: done

submitted: 2019-03-14 15:24:59, status changed: 2019-03-14 17:07:03
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA110P
Energy difference between WT (input) and mutated protein (by FoldX) 2.36287 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
1.0666
Average score
-0.9342
Total score value
-56.0501

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 -0.5227
82 S A -0.7564
83 H A -0.8385
84 M A 0.1053
85 T A 0.0000
86 F A -0.2190
87 V A -0.6269
88 A A 0.0000
89 L A -0.3140
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 -1.3592
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 -1.9636
106 E A 0.0000
107 R A -2.1152
108 L A 0.0000
109 Q A -0.4581
110 P A 0.0143 mutated: IA110P
111 V A 1.0666
112 N A -0.5068
113 N A -1.8993
114 T A -1.7232
115 E A -2.9359
116 G A -2.6149
117 D A -2.7105
118 W A -1.3892
119 W A -0.8119
120 L A 0.2946
121 A A 0.0000
122 H A -0.4858
123 S A 0.0000
124 L A -0.2773
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4120
129 T A -0.5479
130 G A 0.0000
131 Y A 0.0959
132 I A 0.0000
133 P A 0.0000
134 S A -1.3491
135 N A -1.2534
136 Y A -0.2089
137 V A 0.0000
138 A A -0.0253
139 P A -0.2182
140 S A -0.2011

 

Laboratory of Theory of Biopolymers 2015