Project name: SH3_F86W

Status: done

submitted: 2019-03-14 15:10:32, status changed: 2019-03-14 15:36:43
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86W
Energy difference between WT (input) and mutated protein (by FoldX) 1.02943 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
1.2407
Average score
-0.9045
Total score value
-54.2683

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 -0.4607
82 S A -0.6956
83 H A -0.8122
84 M A 0.2108
85 T A 0.0000
86 W A -0.1719 mutated: FA86W
87 V A -0.6507
88 A A 0.0000
89 L A -0.3197
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1055
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3271
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9690
106 E A 0.0000
107 R A -2.0881
108 L A 0.0000
109 Q A -0.2739
110 I A 0.4076
111 V A 1.2407
112 N A -0.4326
113 N A -1.8291
114 T A -1.7400
115 E A -2.9452
116 G A -2.6160
117 D A -2.6927
118 W A -1.3605
119 W A -0.7360
120 L A 0.3854
121 A A 0.0000
122 H A -0.3889
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 -1.4119
129 T A -0.4953
130 G A 0.0000
131 Y A 0.2067
132 I A 0.0000
133 P A 0.0000
134 S A -1.2955
135 N A -1.2522
136 Y A -0.2100
137 V A 0.0000
138 A A -0.0414
139 P A -0.1855
140 S A -0.2060

 

Laboratory of Theory of Biopolymers 2015