Project name: SH3_F86P

Status: done

submitted: 2019-03-14 15:10:18, status changed: 2019-03-14 15:36:03
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86P
Energy difference between WT (input) and mutated protein (by FoldX) 6.15593 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
1.2705
Average score
-0.9144
Total score value
-54.8615

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 -0.5278
82 S A -0.7877
83 H A -0.9702
84 M A -0.1410
85 T A 0.0000
86 P A 0.0000 mutated: FA86P
87 V A -0.7215
88 A A 0.0000
89 L A -0.3368
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 -1.3167
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 -1.9867
106 E A 0.0000
107 R A -2.1274
108 L A 0.0000
109 Q A -0.3638
110 I A 0.3761
111 V A 1.2705
112 N A -0.3974
113 N A -1.7889
114 T A -1.7222
115 E A -2.9231
116 G A -2.5972
117 D A -2.6719
118 W A -1.3156
119 W A -0.6384
120 L A 0.4370
121 A A 0.0000
122 H A -0.3732
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 -0.4928
130 G A 0.0000
131 Y A 0.2405
132 I A 0.0000
133 P A 0.0000
134 S A -1.2684
135 N A -1.2426
136 Y A -0.2256
137 V A 0.0000
138 A A -0.0872
139 P A -0.3118
140 S A -0.3260

 

Laboratory of Theory of Biopolymers 2015