Project name: SH3_W119Y

Status: done

submitted: 2019-03-14 15:32:02, status changed: 2019-03-14 17:48:48
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119Y
Energy difference between WT (input) and mutated protein (by FoldX) 2.14945 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
1.2626
Average score
-0.8872
Total score value
-53.2348

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 -0.4499
82 S A -0.6816
83 H A -0.7912
84 M A 0.2827
85 T A 0.0000
86 F A -0.0368
87 V A -0.5899
88 A A 0.0000
89 L A -0.3045
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 -1.2414
99 D A -1.3181
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9541
106 E A 0.0000
107 R A -2.0517
108 L A 0.0000
109 Q A -0.2279
110 I A 0.4683
111 V A 1.2626
112 N A -0.4044
113 N A -1.7970
114 T A -1.7246
115 E A -2.9268
116 G A -2.6012
117 D A -2.6769
118 W A -1.3239
119 Y A -0.6551 mutated: WA119Y
120 L A 0.4272
121 A A 0.0000
122 H A -0.3773
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 -0.4940
130 G A 0.0000
131 Y A 0.2342
132 I A 0.0000
133 P A 0.0000
134 S A -1.2800
135 N A -1.2475
136 Y A -0.1990
137 V A 0.0000
138 A A -0.0005
139 P A -0.1203
140 S A -0.1519

 

Laboratory of Theory of Biopolymers 2015