Project name: SH3_F86G

Status: done

submitted: 2019-03-14 15:10:01, status changed: 2019-03-14 15:35:27
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86G
Energy difference between WT (input) and mutated protein (by FoldX) 5.75686 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
1.2793
Average score
-0.905
Total score value
-54.2975

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 -0.5277
82 S A -0.7883
83 H A -0.9737
84 M A -0.1462
85 T A 0.0000
86 G A 0.0000 mutated: FA86G
87 V A -0.6631
88 A A 0.0000
89 L A -0.2770
90 Y A -0.7053
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 -1.3154
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8373
105 G A -1.9649
106 E A 0.0000
107 R A -2.1053
108 L A 0.0000
109 Q A -0.3586
110 I A 0.4098
111 V A 1.2793
112 N A -0.3901
113 N A -1.7816
114 T A -1.7201
115 E A -2.9203
116 G A -2.5949
117 D A -2.6693
118 W A -1.3101
119 W A -0.6240
120 L A 0.4462
121 A A 0.0000
122 H A -0.3686
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 -0.4914
130 G A 0.0000
131 Y A 0.2459
132 I A 0.0000
133 P A 0.0000
134 S A -1.2128
135 N A -1.1846
136 Y A -0.1376
137 V A -0.1093
138 A A 0.0009
139 P A -0.2720
140 S A -0.3047

 

Laboratory of Theory of Biopolymers 2015