Project name: SH3_F86H

Status: done

submitted: 2019-03-14 15:10:03, status changed: 2019-03-14 15:35:41
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86H
Energy difference between WT (input) and mutated protein (by FoldX) 3.5411 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
1.2546
Average score
-0.9019
Total score value
-54.1137

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 -0.4505
82 S A -0.6822
83 H A -0.7912
84 M A 0.2228
85 T A 0.0000
86 H A 0.0000 mutated: FA86H
87 V A -0.7216
88 A A 0.0000
89 L A -0.3368
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 -1.3211
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 -2.1291
108 L A 0.0000
109 Q A -0.2990
110 I A 0.4043
111 V A 1.2546
112 N A -0.4142
113 N A -1.8075
114 T A -1.7298
115 E A -2.9325
116 G A -2.6053
117 D A -2.6809
118 W A -1.3348
119 W A -0.6813
120 L A 0.4133
121 A A 0.0000
122 H A -0.3815
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 -0.4946
130 G A 0.0000
131 Y A 0.2254
132 I A 0.0000
133 P A 0.0000
134 S A -1.2809
135 N A -1.2467
136 Y A -0.2257
137 V A 0.0000
138 A A -0.0875
139 P A -0.2396
140 S A -0.2494

 

Laboratory of Theory of Biopolymers 2015