Project name: SH3_W118P

Status: done

submitted: 2019-03-14 15:31:02, status changed: 2019-03-14 17:41:34
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA118P
Energy difference between WT (input) and mutated protein (by FoldX) 3.24674 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
-3.4777
Maximal score value
1.2725
Average score
-0.9538
Total score value
-57.2306

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 -0.6284
88 A A 0.0000
89 L A -0.3289
90 Y A -0.7715
91 D A -2.8403
92 Y A -2.0628
93 E A -2.8663
94 S A 0.0000
95 R A -2.8068
96 T A -2.2147
97 E A -2.4097
98 T A -1.3404
99 D A -1.5757
100 L A 0.0000
101 S A -1.9295
102 F A 0.0000
103 K A -3.4777
104 K A -2.8714
105 G A -1.9723
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2388
110 I A 0.4483
111 V A 1.2725
112 N A -0.4379
113 N A -1.8902
114 T A -1.7815
115 E A -3.0557
116 G A -2.7443
117 D A -2.9400
118 P A -1.8696 mutated: WA118P
119 W A -0.9624
120 L A 0.2770
121 A A 0.0000
122 H A -0.3848
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 -1.4288
129 T A -0.5356
130 G A 0.0000
131 Y A -0.0639
132 I A 0.0000
133 P A -0.7930
134 S A -1.4695
135 N A -1.3347
136 Y A -0.2663
137 V A 0.0000
138 A A -0.0206
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015