Project name: SH3_I110W

Status: done

submitted: 2019-03-14 15:25:13, status changed: 2019-03-14 17:07:31
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA110W
Energy difference between WT (input) and mutated protein (by FoldX) 3.62553 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
1.3945
Average score
-0.8955
Total score value
-53.7309

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 -0.5498
82 S A -0.8194
83 H A -1.0291
84 M A -0.2567
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 -1.3602
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 -2.1240
108 L A 0.0000
109 Q A -0.3622
110 W A 0.4843 mutated: IA110W
111 V A 1.3945
112 N A -0.1604
113 N A -1.3606
114 T A -1.5111
115 E A -2.7907
116 G A -2.5107
117 D A -2.6495
118 W A -1.3059
119 W A -0.5469
120 L A 0.5217
121 A A 0.0000
122 H A -0.3721
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 -0.4999
130 G A 0.0000
131 Y A 0.1958
132 I A 0.0000
133 P A 0.0000
134 S A -1.2410
135 N A -1.2543
136 Y A -0.2296
137 V A 0.0000
138 A A -0.0885
139 P A -0.3333
140 S A -0.3516

 

Laboratory of Theory of Biopolymers 2015