Project name: SH3_F86E

Status: done

submitted: 2019-03-14 15:09:58, status changed: 2019-03-14 15:35:28
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86E
Energy difference between WT (input) and mutated protein (by FoldX) 5.56205 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
1.2398
Average score
-0.9172
Total score value
-55.0342

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 -0.5194
82 S A -0.7736
83 H A -0.9372
84 M A -0.0810
85 T A 0.0000
86 E A 0.0000 mutated: FA86E
87 V A -0.7217
88 A A 0.0000
89 L A -0.3369
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 -1.3200
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 -1.9867
106 E A 0.0000
107 R A -2.1326
108 L A 0.0000
109 Q A -0.3754
110 I A 0.3282
111 V A 1.2398
112 N A -0.4210
113 N A -1.8116
114 T A -1.7280
115 E A -2.9302
116 G A -2.6033
117 D A -2.6787
118 W A -1.3302
119 W A -0.6798
120 L A 0.4087
121 A A 0.0000
122 H A -0.3891
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 -0.4982
130 G A 0.0000
131 Y A 0.2246
132 I A 0.0000
133 P A 0.0000
134 S A -1.2821
135 N A -1.2458
136 Y A -0.2258
137 V A 0.0000
138 A A -0.0878
139 P A -0.3037
140 S A -0.3120

 

Laboratory of Theory of Biopolymers 2015