Project name: SH3_H122G

Status: done

submitted: 2019-03-14 15:33:01, status changed: 2019-03-14 17:53:40
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues HA122G
Energy difference between WT (input) and mutated protein (by FoldX) 1.99973 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
1.2087
Average score
-0.8968
Total score value
-53.8106

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 -0.4875
82 S A -0.7315
83 H A -0.8263
84 M A 0.2039
85 T A 0.0000
86 F A -0.1849
87 V A -0.6638
88 A A 0.0000
89 L A -0.3125
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 -2.1549
97 E A -2.3535
98 T A -1.2437
99 D A -1.3265
100 L A 0.0000
101 S A -1.9048
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.0600
108 L A 0.0000
109 Q A -0.4676
110 I A 0.3269
111 V A 1.2087
112 N A -0.4240
113 N A -1.8067
114 T A -1.7277
115 E A -2.9333
116 G A -2.6068
117 D A -2.6853
118 W A -1.3423
119 W A -0.6780
120 L A 0.3979
121 A A 0.0000
122 G A -0.2925 mutated: HA122G
123 S A 0.0000
124 L A -0.1346
125 T A -0.6788
126 T A -0.8163
127 G A -0.7521
128 Q A -1.3503
129 T A -0.4511
130 G A 0.0000
131 Y A 0.2370
132 I A 0.0000
133 P A 0.0000
134 S A -1.2867
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1838
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015