Project name: SH3_S94R

Status: done

submitted: 2019-03-14 15:15:53, status changed: 2019-03-14 16:11:26
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA94R
Energy difference between WT (input) and mutated protein (by FoldX) 1.46965 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
-3.4902
Maximal score value
1.2504
Average score
-0.973
Total score value
-58.3809

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 -0.1031
87 V A -0.6191
88 A A 0.0000
89 L A -0.3052
90 Y A -0.7265
91 D A -2.8583
92 Y A -2.3125
93 E A -3.2820
94 R A -2.9618 mutated: SA94R
95 R A -3.1682
96 T A -2.3812
97 E A -2.4654
98 T A -1.3102
99 D A -1.4658
100 L A 0.0000
101 S A -2.1917
102 F A 0.0000
103 K A -3.4902
104 K A -2.8581
105 G A -1.9600
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4378
111 V A 1.2504
112 N A -0.4176
113 N A -1.8112
114 T A -1.7310
115 E A -2.9328
116 G A -2.6050
117 D A -2.6779
118 W A -1.3135
119 W A -0.6769
120 L A 0.4281
121 A A 0.0000
122 H A -0.3828
123 S A 0.0000
124 L A -0.2789
125 T A -0.7798
126 T A -0.8795
127 G A -0.8147
128 Q A -1.4026
129 T A -0.4759
130 G A 0.0000
131 Y A 0.1745
132 I A 0.0000
133 P A 0.0000
134 S A -1.2777
135 N A -1.2400
136 Y A -0.1908
137 V A 0.0000
138 A A -0.0189
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015