Project name: SH3_G127E

Status: done

submitted: 2019-03-14 15:35:56, status changed: 2019-03-14 18:12:31
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127E
Energy difference between WT (input) and mutated protein (by FoldX) 3.08395 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
-3.4826
Maximal score value
1.2522
Average score
-0.9706
Total score value
-58.2341

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 -0.1044
87 V A -0.6223
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 -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3229
100 L A 0.0000
101 S A -1.9022
102 F A 0.0000
103 K A -3.4826
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.1035
108 L A 0.0000
109 Q A -0.2698
110 I A 0.4398
111 V A 1.2522
112 N A -0.4189
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6085
117 D A -2.6844
118 W A -1.3424
119 W A -0.6967
120 L A 0.4069
121 A A 0.0000
122 H A -0.7198
123 S A 0.0000
124 L A -0.8537
125 T A -1.2107
126 T A -1.5770
127 E A -2.2338 mutated: GA127E
128 Q A -2.1039
129 T A -0.8253
130 G A 0.0000
131 Y A 0.2212
132 I A 0.0000
133 P A 0.0000
134 S A -1.2857
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015