Project name: SH3_G127I

Status: done

submitted: 2019-03-14 15:36:03, status changed: 2019-03-14 18:12:31
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127I
Energy difference between WT (input) and mutated protein (by FoldX) 4.17971 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
-3.4824
Maximal score value
1.5769
Average score
-0.7788
Total score value
-46.7263

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 -1.2410
99 D A -1.3193
100 L A 0.0000
101 S A -1.8971
102 F A 0.0000
103 K A -3.4824
104 K A -2.8616
105 G A -1.9619
106 E A 0.0000
107 R A -2.1396
108 L A 0.0000
109 Q A -0.2858
110 I A 0.4490
111 V A 1.2611
112 N A -0.4144
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 -0.6923
120 L A 0.4162
121 A A 0.0000
122 H A 0.1688
123 S A 0.0000
124 L A 0.3139
125 T A -0.2118
126 T A 0.2700
127 I A 1.5769 mutated: GA127I
128 Q A -0.2136
129 T A 0.0785
130 G A 0.0000
131 Y A 0.2271
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 -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015