Project name: SH3_Y92D

Status: done

submitted: 2019-03-14 15:13:49, status changed: 2019-03-14 15:57:50
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92D
Energy difference between WT (input) and mutated protein (by FoldX) 4.4446 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
-3.6426
Maximal score value
1.2501
Average score
-0.9874
Total score value
-59.2411

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 -0.1052
87 V A -0.6235
88 A A 0.0000
89 L A -0.3867
90 Y A -0.8938
91 D A -3.1599
92 D A -2.7628 mutated: YA92D
93 E A -3.2266
94 S A -2.4010
95 R A -2.8923
96 T A -2.2098
97 E A -2.4003
98 T A -1.3170
99 D A -1.5413
100 L A 0.0000
101 S A -2.1517
102 F A 0.0000
103 K A -3.6426
104 K A -2.9652
105 G A -1.9621
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4375
111 V A 1.2501
112 N A -0.4067
113 N A -1.7943
114 T A -1.7192
115 E A -2.9094
116 G A -2.5843
117 D A -2.6435
118 W A -1.2719
119 W A -0.6717
120 L A 0.4015
121 A A 0.0000
122 H A -0.3837
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8781
127 G A -0.8169
128 Q A -1.4271
129 T A -0.5205
130 G A 0.0000
131 Y A 0.1773
132 I A 0.0000
133 P A -0.6281
134 S A -1.2689
135 N A -1.2465
136 Y A -0.3072
137 V A 0.0000
138 A A -0.0229
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015