Project name: SH3_G127P

Status: done

submitted: 2019-03-14 15:36:15, status changed: 2019-03-14 18:13:05
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127P
Energy difference between WT (input) and mutated protein (by FoldX) 6.20476 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
-3.4815
Maximal score value
1.2483
Average score
-0.8911
Total score value
-53.4675

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 -0.4514
82 S A -0.6831
83 H A -0.7916
84 M A 0.2661
85 T A 0.0000
86 F A -0.1053
87 V A -0.6228
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 -1.2407
99 D A -1.3221
100 L A 0.0000
101 S A -1.9014
102 F A 0.0000
103 K A -3.4815
104 K A -2.8616
105 G A -1.9613
106 E A 0.0000
107 R A -2.1018
108 L A 0.0000
109 Q A -0.2768
110 I A 0.4346
111 V A 1.2483
112 N A -0.4205
113 N A -1.8138
114 T A -1.7326
115 E A -2.9361
116 G A -2.6085
117 D A -2.6844
118 W A -1.3421
119 W A -0.6977
120 L A 0.4050
121 A A 0.0000
122 H A -0.3735
123 S A 0.0000
124 L A -0.3204
125 T A -0.7706
126 T A -0.8057
127 P A -0.6658 mutated: GA127P
128 Q A -1.3385
129 T A -0.4648
130 G A 0.0000
131 Y A 0.2201
132 I A 0.0000
133 P A 0.0000
134 S A -1.2855
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1509
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015