Project name: SH3_Y131C

Status: done

submitted: 2019-03-14 15:38:13, status changed: 2019-03-14 18:25:46
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA131C
Energy difference between WT (input) and mutated protein (by FoldX) 1.656 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
-3.4774
Maximal score value
1.0061
Average score
-0.9368
Total score value
-56.2056

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 -0.1047
87 V A -0.6192
88 A A 0.0000
89 L A -0.2999
90 Y A -0.7095
91 D A -2.8409
92 Y A -2.1029
93 E A -2.8836
94 S A 0.0000
95 R A -2.7844
96 T A -2.1889
97 E A -2.3877
98 T A -1.3020
99 D A -1.4283
100 L A 0.0000
101 S A -1.9480
102 F A 0.0000
103 K A -3.4774
104 K A -2.8504
105 G A -1.9568
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2899
110 I A 0.2939
111 V A 1.0061
112 N A -0.9353
113 N A -2.0647
114 T A -1.8667
115 E A -3.0004
116 G A -2.6543
117 D A -2.7030
118 W A -1.4334
119 W A -0.8714
120 L A 0.2408
121 A A 0.0000
122 H A -0.4512
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 -1.4120
129 T A -0.5244
130 G A 0.0000
131 C A -0.0855 mutated: YA131C
132 I A 0.0000
133 P A 0.0000
134 S A -1.2979
135 N A -1.2426
136 Y A -0.1966
137 V A 0.0000
138 A A -0.0219
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015