Project name: SH3_F86Q

Status: done

submitted: 2019-03-14 15:10:20, status changed: 2019-03-14 15:36:14
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86Q
Energy difference between WT (input) and mutated protein (by FoldX) 4.30414 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
1.2333
Average score
-0.9189
Total score value
-55.1318

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 -0.5259
82 S A -0.7803
83 H A -0.9476
84 M A -0.1090
85 T A 0.0000
86 Q A 0.0000 mutated: FA86Q
87 V A -0.7167
88 A A 0.0000
89 L A -0.3373
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 -1.3203
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 -2.1282
108 L A 0.0000
109 Q A -0.3576
110 I A 0.3066
111 V A 1.2333
112 N A -0.4269
113 N A -1.8209
114 T A -1.7284
115 E A -2.9307
116 G A -2.6038
117 D A -2.6792
118 W A -1.3312
119 W A -0.6902
120 L A 0.4042
121 A A 0.0000
122 H A -0.3806
123 S A 0.0000
124 L A -0.2742
125 T A -0.7820
126 T A -0.8787
127 G A -0.8174
128 Q A -1.4114
129 T A -0.4959
130 G A 0.0000
131 Y A 0.2201
132 I A 0.0000
133 P A 0.0000
134 S A -1.2870
135 N A -1.2463
136 Y A -0.2261
137 V A 0.0000
138 A A -0.0894
139 P A -0.3102
140 S A -0.3189

 

Laboratory of Theory of Biopolymers 2015