Project name: SH3_W119K

Status: done

submitted: 2019-03-14 15:31:38, status changed: 2019-03-14 17:46:17
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119K
Energy difference between WT (input) and mutated protein (by FoldX) 2.23224 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
-3.4838
Maximal score value
1.1843
Average score
-0.9122
Total score value
-54.7298

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 -0.4459
82 S A -0.6780
83 H A -0.7912
84 M A 0.2943
85 T A 0.0000
86 F A 0.0501
87 V A -0.5168
88 A A 0.0000
89 L A -0.2416
90 Y A -0.7056
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 -1.3723
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8376
105 G A -1.9288
106 E A 0.0000
107 R A -2.0190
108 L A 0.0000
109 Q A -0.2040
110 I A 0.4159
111 V A 1.1843
112 N A -0.5423
113 N A -1.9716
114 T A -1.8166
115 E A -3.0427
116 G A -2.7002
117 D A -2.7873
118 W A -1.5592
119 K A -1.1275 mutated: WA119K
120 L A 0.2005
121 A A 0.0000
122 H A -0.4197
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 -1.4119
129 T A -0.4906
130 G A 0.0000
131 Y A 0.0760
132 I A 0.0000
133 P A 0.0000
134 S A -1.3594
135 N A -1.2423
136 Y A -0.1094
137 V A -0.0309
138 A A 0.0967
139 P A -0.0637
140 S A -0.1180

 

Laboratory of Theory of Biopolymers 2015