Project name: SH3_N113T

Status: done

submitted: 2019-03-14 15:27:20, status changed: 2019-03-14 17:22:00
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues NA113T
Energy difference between WT (input) and mutated protein (by FoldX) 1.46517 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
1.5463
Average score
-0.8082
Total score value
-48.4899

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 -0.4456
82 S A -0.6777
83 H A -0.7912
84 M A 0.2733
85 T A 0.0000
86 F A -0.0957
87 V A -0.6223
88 A A 0.0000
89 L A -0.3125
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 -1.3237
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 -1.9621
106 E A 0.0000
107 R A -2.0670
108 L A 0.0000
109 Q A -0.2277
110 I A 0.7473
111 V A 1.5463
112 N A 0.1751
113 T A -0.6051 mutated: NA113T
114 T A -1.1459
115 E A -2.5324
116 G A -2.3176
117 D A -2.5115
118 W A -1.1049
119 W A -0.2396
120 L A 0.6998
121 A A 0.0000
122 H A -0.3739
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 -0.4904
130 G A 0.0000
131 Y A 0.3528
132 I A 0.0000
133 P A 0.0000
134 S A -1.1179
135 N A -1.2492
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1459
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015