Project name: SH3_G127A

Status: done

submitted: 2019-03-14 15:35:50, status changed: 2019-03-14 18:11:31
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127A
Energy difference between WT (input) and mutated protein (by FoldX) 3.18924 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
-3.483
Maximal score value
1.2504
Average score
-0.8697
Total score value
-52.1814

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 -1.9026
102 F A 0.0000
103 K A -3.4830
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.0701
108 L A 0.0000
109 Q A -0.2483
110 I A 0.4378
111 V A 1.2504
112 N A -0.4197
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 -0.6976
120 L A 0.4052
121 A A 0.0000
122 H A -0.2677
123 S A 0.0000
124 L A -0.1114
125 T A -0.6409
126 T A -0.6297
127 A A -0.3206 mutated: GA127A
128 Q A -1.1682
129 T A -0.3787
130 G A 0.0000
131 Y A 0.2200
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