Project name: SH3_I110K

Status: done

submitted: 2019-03-14 15:24:48, status changed: 2019-03-14 17:06:21
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA110K
Energy difference between WT (input) and mutated protein (by FoldX) 2.56351 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
0.8201
Average score
-0.9688
Total score value
-58.1272

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 -0.6490
82 S A -0.8891
83 H A -0.9314
84 M A -0.2275
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 -1.3597
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 -2.2418
108 L A 0.0000
109 Q A -0.8925
110 K A -0.6573 mutated: IA110K
111 V A 0.8201
112 N A -0.5085
113 N A -1.6521
114 T A -1.5271
115 E A -2.8011
116 G A -2.5179
117 D A -2.6530
118 W A -1.3107
119 W A -0.8214
120 L A 0.2010
121 A A 0.0000
122 H A -0.6617
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 -0.6210
130 G A 0.0000
131 Y A 0.0578
132 I A 0.0000
133 P A 0.0000
134 S A -1.3695
135 N A -1.2538
136 Y A -0.2295
137 V A 0.0000
138 A A -0.0883
139 P A -0.4128
140 S A -0.3097

 

Laboratory of Theory of Biopolymers 2015