Project name: SH3_Y92F

Status: done

submitted: 2019-03-14 15:13:54, status changed: 2019-03-14 15:58:47
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92F
Energy difference between WT (input) and mutated protein (by FoldX) 1.22862 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
-3.4369
Maximal score value
1.2498
Average score
-0.9275
Total score value
-55.6512

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 -0.1082
87 V A -0.6275
88 A A 0.0000
89 L A -0.3029
90 Y A -0.7006
91 D A -2.7678
92 F A -1.9359 mutated: YA92F
93 E A -2.8083
94 S A -2.1600
95 R A -2.7847
96 T A -2.1762
97 E A -2.3708
98 T A -1.2690
99 D A -1.3604
100 L A 0.0000
101 S A -1.8633
102 F A 0.0000
103 K A -3.4369
104 K A -2.8362
105 G A -1.9621
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4372
111 V A 1.2498
112 N A -0.4213
113 N A -1.8163
114 T A -1.7342
115 E A -2.9391
116 G A -2.6114
117 D A -2.6894
118 W A -1.3624
119 W A -0.7086
120 L A 0.3945
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 -1.4170
129 T A -0.5039
130 G A 0.0000
131 Y A 0.1928
132 I A 0.0000
133 P A 0.0000
134 S A -1.3004
135 N A -1.2670
136 Y A -0.2115
137 V A 0.0000
138 A A -0.0285
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015