Project name: SH3_L89A

Status: done

submitted: 2019-03-14 15:11:23, status changed: 2019-03-14 15:42:19
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA89A
Energy difference between WT (input) and mutated protein (by FoldX) 1.37191 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
-3.4966
Maximal score value
1.2498
Average score
-0.8925
Total score value
-53.5516

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 -0.0279
87 V A -0.5034
88 A A 0.0000
89 A A -0.5467 mutated: LA89A
90 Y A -0.7434
91 D A -2.8664
92 Y A -2.1159
93 E A -2.8809
94 S A 0.0000
95 R A -2.7835
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3227
100 L A 0.0000
101 S A -1.9030
102 F A 0.0000
103 K A -3.4966
104 K A -2.8954
105 G A -1.9726
106 E A 0.0000
107 R A -1.9989
108 L A 0.0000
109 Q A -0.2301
110 I A 0.4554
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 -1.3428
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 -1.2342
135 N A -1.2351
136 Y A -0.1884
137 V A -0.1163
138 A A 0.0407
139 P A -0.0651
140 S A -0.1069

 

Laboratory of Theory of Biopolymers 2015