Project name: SH3_Y136H

Status: done

submitted: 2019-03-14 17:17:49, status changed: 2019-03-14 18:57:18
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA136H
Energy difference between WT (input) and mutated protein (by FoldX) 2.18854 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
-3.4499
Maximal score value
1.2498
Average score
-0.9305
Total score value
-55.8296

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 -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2668
85 T A 0.0000
86 F A -0.1622
87 V A -0.6878
88 A A 0.0000
89 L A -0.4312
90 Y A -0.7691
91 D A -2.8701
92 Y A -2.1396
93 E A -2.8689
94 S A 0.0000
95 R A -2.7811
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3234
100 L A 0.0000
101 S A -1.8952
102 F A 0.0000
103 K A -3.4499
104 K A -2.8858
105 G A -1.9424
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4381
111 V A 1.2498
112 N A -0.4200
113 N A -1.8130
114 T A -1.7328
115 E A -2.9353
116 G A -2.6101
117 D A -2.6891
118 W A -1.4050
119 W A -0.7020
120 L A 0.4022
121 A A 0.0000
122 H A -0.3840
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 -0.4950
130 G A 0.0000
131 Y A 0.2150
132 I A 0.0000
133 P A -0.7221
134 S A -1.4631
135 N A -1.4980
136 H A -0.7091 mutated: YA136H
137 V A 0.0000
138 A A -0.1298
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015