Project name: SH3_G127V

Status: done

submitted: 2019-03-14 15:36:27, status changed: 2019-03-14 18:15:28
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127V
Energy difference between WT (input) and mutated protein (by FoldX) 4.6492 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
-3.4825
Maximal score value
1.3727
Average score
-0.786
Total score value
-47.1596

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 -1.3203
100 L A 0.0000
101 S A -1.8982
102 F A 0.0000
103 K A -3.4825
104 K A -2.8616
105 G A -1.9620
106 E A 0.0000
107 R A -2.1028
108 L A 0.0000
109 Q A -0.2664
110 I A 0.4428
111 V A 1.2550
112 N A -0.4175
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 -0.6954
120 L A 0.4095
121 A A 0.0000
122 H A 0.1223
123 S A 0.0000
124 L A 0.3570
125 T A -0.2179
126 T A 0.1872
127 V A 1.3727 mutated: GA127V
128 Q A -0.3200
129 T A 0.0253
130 G A 0.0000
131 Y A 0.2229
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