Project name: SH3_F86K

Status: done

submitted: 2019-03-14 15:10:07, status changed: 2019-03-14 15:36:10
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86K
Energy difference between WT (input) and mutated protein (by FoldX) 3.29728 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
1.2216
Average score
-0.9433
Total score value
-56.5998

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 -0.5390
82 S A -0.7989
83 H A -0.9754
84 M A -0.2001
85 T A 0.0000
86 K A -0.5710 mutated: FA86K
87 V A -0.8059
88 A A 0.0000
89 L A -0.3576
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 -1.3243
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 -2.0074
106 E A 0.0000
107 R A -2.1838
108 L A 0.0000
109 Q A -0.4454
110 I A 0.2522
111 V A 1.2216
112 N A -0.4388
113 N A -1.8308
114 T A -1.7352
115 E A -2.9393
116 G A -2.6111
117 D A -2.6873
118 W A -1.3486
119 W A -0.7225
120 L A 0.3842
121 A A 0.0000
122 H A -0.3985
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 -0.5005
130 G A 0.0000
131 Y A 0.2093
132 I A 0.0000
133 P A 0.0000
134 S A -1.2948
135 N A -1.2497
136 Y A -0.2443
137 V A 0.0000
138 A A -0.1446
139 P A -0.3978
140 S A -0.3908

 

Laboratory of Theory of Biopolymers 2015