Project name: SH3_Y136A

Status: done

submitted: 2019-03-14 17:17:37, status changed: 2019-03-14 18:57:11
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA136A
Energy difference between WT (input) and mutated protein (by FoldX) 1.92795 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
-3.4082
Maximal score value
1.2495
Average score
-0.9012
Total score value
-54.0725

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 -0.1384
87 V A -0.6425
88 A A 0.0000
89 L A -0.3015
90 Y A -0.5886
91 D A -2.7554
92 Y A -2.0215
93 E A -2.8405
94 S A 0.0000
95 R A -2.7760
96 T A -2.1559
97 E A -2.3544
98 T A -1.2446
99 D A -1.3245
100 L A 0.0000
101 S A -1.8777
102 F A 0.0000
103 K A -3.4082
104 K A -2.8012
105 G A -1.9233
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4369
111 V A 1.2495
112 N A -0.4206
113 N A -1.8149
114 T A -1.7331
115 E A -2.9368
116 G A -2.6136
117 D A -2.6955
118 W A -1.3919
119 W A -0.7090
120 L A 0.3976
121 A A 0.0000
122 H A -0.3844
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 -1.4124
129 T A -0.4964
130 G A 0.0000
131 Y A 0.2065
132 I A 0.0000
133 P A -0.6615
134 S A -1.4058
135 N A -1.3873
136 A A 0.0000 mutated: YA136A
137 V A 0.0000
138 A A -0.0859
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015