Project name: SH3_W118T

Status: done

submitted: 2019-03-14 15:31:11, status changed: 2019-03-14 17:44:59
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA118T
Energy difference between WT (input) and mutated protein (by FoldX) 1.45645 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
-3.4587
Maximal score value
1.2529
Average score
-0.9393
Total score value
-56.3605

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 -0.1038
87 V A -0.6194
88 A A 0.0000
89 L A -0.2931
90 Y A -0.6978
91 D A -2.8036
92 Y A -2.0351
93 E A -2.8559
94 S A 0.0000
95 R A -2.7942
96 T A -2.1856
97 E A -2.3820
98 T A -1.2915
99 D A -1.4726
100 L A 0.0000
101 S A -1.9022
102 F A 0.0000
103 K A -3.4587
104 K A -2.8402
105 G A -1.9589
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2478
110 I A 0.4388
111 V A 1.2529
112 N A -0.4699
113 N A -1.8961
114 T A -1.7892
115 E A -3.0506
116 G A -2.7315
117 D A -2.9021
118 T A -1.7927 mutated: WA118T
119 W A -0.9252
120 L A 0.2915
121 A A 0.0000
122 H A -0.3839
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4221
129 T A -0.5137
130 G A 0.0000
131 Y A 0.0441
132 I A 0.0000
133 P A -0.7433
134 S A -1.4402
135 N A -1.3161
136 Y A -0.2379
137 V A 0.0000
138 A A -0.0203
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015