Project name: SH3_P139Q

Status: done

submitted: 2019-03-14 17:15:40, status changed: 2019-03-14 18:49:02
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PA139Q
Energy difference between WT (input) and mutated protein (by FoldX) 1.39617 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
1.2498
Average score
-0.9478
Total score value
-56.8686

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 -0.4614
82 S A -0.6967
83 H A -0.8148
84 M A 0.0285
85 T A 0.0000
86 F A -0.5302
87 V A -0.8714
88 A A 0.0000
89 L A -0.3117
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 -1.3229
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 -1.9617
106 E A 0.0000
107 R A -2.1746
108 L A 0.0000
109 Q A -0.3575
110 I A 0.3334
111 V A 1.2498
112 N A -0.4200
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6085
117 D A -2.6844
118 W A -1.3424
119 W A -0.6978
120 L A 0.4047
121 A A 0.0000
122 H A -0.3840
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 -0.4950
130 G A 0.0000
131 Y A 0.2197
132 I A 0.0000
133 P A 0.0000
134 S A -1.2854
135 N A -1.2481
136 Y A -0.2032
137 V A 0.0000
138 A A -0.4794
139 Q A -1.1013 mutated: PA139Q
140 S A -0.6453

 

Laboratory of Theory of Biopolymers 2015