Project name: SH3_Y131I

Status: done

submitted: 2019-03-14 15:38:27, status changed: 2019-03-14 18:26:26
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA131I
Energy difference between WT (input) and mutated protein (by FoldX) 1.468 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
-3.4781
Maximal score value
1.0086
Average score
-0.9207
Total score value
-55.2406

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 -0.3002
90 Y A -0.7101
91 D A -2.8422
92 Y A -2.1054
93 E A -2.8848
94 S A 0.0000
95 R A -2.7847
96 T A -2.1621
97 E A -2.3607
98 T A -1.2483
99 D A -1.3275
100 L A 0.0000
101 S A -1.9153
102 F A 0.0000
103 K A -3.4781
104 K A -2.8508
105 G A -1.9568
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.3011
110 I A 0.3012
111 V A 1.0086
112 N A -0.9218
113 N A -2.0418
114 T A -1.8663
115 E A -2.9894
116 G A -2.6332
117 D A -2.6404
118 W A -1.3077
119 W A -0.7904
120 L A 0.2869
121 A A 0.0000
122 H A -0.4331
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 -0.4908
130 G A 0.0000
131 I A 0.1465 mutated: YA131I
132 I A 0.0000
133 P A 0.0000
134 S A -1.2511
135 N A -1.2321
136 Y A -0.1892
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